 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Chair_STD_wB97XD-augccpVDZr.in
 Output=19_methylcyclohexanone_Chair_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/19_methylcyclohexanone_Chair_STD/Gau-22771.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/19_methylcyclohexanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     22772.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=19_methylcyclohexanone_Chair_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 22:05:32 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.277695000000     -0.308554000000      0.104897000000
  C                                                 1.175743000000      1.198361000000     -0.017190000000
  C                                                -0.229896000000      1.635230000000     -0.460001000000
  C                                                -1.314447000000      1.003685000000      0.413155000000
  C                                                -1.220070000000     -0.528631000000      0.454249000000
  C                                                 0.183893000000     -0.956062000000      0.929807000000
  O                                                 2.160019000000     -0.945956000000     -0.423269000000
  H                                                 1.949005000000      1.548357000000     -0.699939000000
  H                                                 1.382913000000      1.620529000000      0.973456000000
  H                                                -0.380069000000      1.352660000000     -1.504779000000
  H                                                -0.302484000000      2.723979000000     -0.423105000000
  H                                                -2.302821000000      1.300947000000      0.053848000000
  H                                                -1.222375000000      1.391636000000      1.433196000000
  C                                                -1.562572000000     -1.173371000000     -0.890254000000
  H                                                -1.943141000000     -0.891173000000      1.190510000000
  H                                                 0.310624000000     -2.037815000000      0.892211000000
  H                                                 0.321376000000     -0.633428000000      1.968024000000
  H                                                -0.841880000000     -0.909433000000     -1.666448000000
  H                                                -2.551661000000     -0.861028000000     -1.231130000000
  H                                                -1.561715000000     -2.261533000000     -0.807673000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1          12           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           0           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 22:05:32 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515286   0.000000
     3  C    2.523933   1.537126   0.000000
     4  C    2.921677   2.534589   1.528889   0.000000
     5  C    2.531662   2.990765   2.549234   1.535770   0.000000
     6  C    1.515304   2.553842   2.969441   2.520429   1.542713
     7  O    1.209850   2.394117   3.517892   4.070948   3.516987
     8  H    2.132261   1.089301   2.193793   3.490811   3.960942
     9  H    2.118213   1.096597   2.157816   2.823152   3.415258
    10  H    2.845851   2.158073   1.092684   2.161786   2.843000
    11  H    3.460059   2.162737   1.091790   2.163980   3.491588
    12  H    3.925964   3.480801   2.161667   1.092863   2.163337
    13  H    3.302329   2.809261   2.151406   1.095202   2.155404
    14  C    3.131350   3.726355   3.138373   2.549512   1.529930
    15  H    3.448447   3.943619   3.470174   2.142434   1.093777
    16  H    2.132002   3.471063   3.951190   3.481533   2.193735
    17  H    2.119276   2.833102   3.368385   2.788131   2.162996
    18  H    2.826892   3.351664   2.881900   2.864976   2.187554
    19  H    4.093185   4.428123   3.495216   2.776963   2.173505
    20  H    3.564991   4.482121   4.132721   3.494740   2.170741
                    6          7          8          9         10
     6  C    0.000000
     7  O    2.394993   0.000000
     8  H    3.470419   2.518466   0.000000
     9  H    2.842248   3.023505   1.768027   0.000000
    10  H    3.402273   3.592401   2.471973   3.053114   0.000000
    11  H    3.950903   4.419541   2.554981   2.451234   1.748300
    12  H    3.470611   5.019278   4.325209   3.812145   2.475675
    13  H    2.782566   4.511251   3.825242   2.655424   3.056582
    14  C    2.531795   3.758654   4.446931   4.467121   2.856009
    15  H    2.143933   4.409445   4.967283   4.173535   3.839605
    16  H    1.089800   2.518513   4.252042   3.813120   4.209268
    17  H    1.095851   3.032584   3.811481   2.682601   4.061641
    18  H    2.791939   3.249342   3.842383   4.280129   2.314405
    19  H    3.487397   4.781190   5.132572   5.147737   3.113055
    20  H    2.787515   3.966083   5.181894   5.187838   3.865829
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.500770   0.000000
    13  H    2.463167   1.754477   0.000000
    14  C    4.122546   2.749827   3.477559   0.000000
    15  H    4.285421   2.495348   2.406162   2.134021   0.000000
    16  H    4.978016   4.322069   3.795245   2.726409   2.546218
    17  H    4.168799   3.780514   2.601940   3.465624   2.408111
    18  H    3.877955   3.159042   3.879109   1.091576   3.061914
    19  H    4.308593   2.527296   3.733648   1.091811   2.497107
    20  H    5.156441   3.739348   4.299103   1.091291   2.452775
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.769122   0.000000
    18  H    3.024607   3.826059   0.000000
    19  H    3.753143   4.305895   1.764992   0.000000
    20  H    2.538761   3.728438   1.756084   1.766557   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.7433685           1.9933769           1.4701036
 Leave Link  202 at Thu Jul  8 22:05:32 2021, MaxMem= 10737418240 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     15     16     17     18
 Centers:      19     20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 320 were deleted.
 There are   308 symmetry adapted cartesian basis functions of A   symmetry.
 There are   292 symmetry adapted basis functions of A   symmetry.
   292 basis functions,   520 primitive gaussians,   308 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       394.1249269825 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0141161694 Hartrees.
 Nuclear repulsion after empirical dispersion term =      394.1108108131 Hartrees.
 Leave Link  301 at Thu Jul  8 22:05:34 2021, MaxMem= 10737418240 cpu:              27.7 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   292 RedAO= T EigKep=  1.06D-05  NBF=   292
 NBsUse=   292 1.00D-06 EigRej= -1.00D+00 NBFU=   292
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   308   308   308   308   308 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Jul  8 22:05:35 2021, MaxMem= 10737418240 cpu:               7.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 22:05:36 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 22:05:36 2021, MaxMem= 10737418240 cpu:               6.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737220520 LenY= 10737125215
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.139297170609    
 DIIS: error= 1.70D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.139297170609     IErMin= 1 ErrMin= 1.70D-03
 ErrMax= 1.70D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.05D-03 BMatP= 4.05D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.70D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 GapD=    0.376 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.13D-03 MaxDP=9.91D-01              OVMax= 1.46D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.77D-03    CP:  1.11D+00
 E= -349.142790831079     Delta-E=       -0.003493660470 Rises=F Damp=F
 DIIS: error= 2.82D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.142790831079     IErMin= 2 ErrMin= 2.82D-04
 ErrMax= 2.82D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.92D-05 BMatP= 4.05D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.82D-03
 Coeff-Com: -0.408D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.407D-01 0.104D+01
 Gap=     0.355 Goal=   None    Shift=    0.000
 RMSDP=1.22D-03 MaxDP=1.06D-01 DE=-3.49D-03 OVMax= 5.26D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.55D-04    CP:  1.12D+00  1.11D+00
 E= -349.142843591213     Delta-E=       -0.000052760134 Rises=F Damp=F
 DIIS: error= 3.67D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -349.142843591213     IErMin= 2 ErrMin= 2.82D-04
 ErrMax= 3.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-04 BMatP= 8.92D-05
 IDIUse=3 WtCom= 3.43D-01 WtEn= 6.57D-01
 Coeff-Com: -0.434D-01 0.573D+00 0.471D+00
 Coeff-En:   0.000D+00 0.260D+00 0.740D+00
 Coeff:     -0.149D-01 0.367D+00 0.648D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=1.27D-04 MaxDP=6.59D-03 DE=-5.28D-05 OVMax= 3.20D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.37D-05    CP:  1.12D+00  1.12D+00  1.09D+00
 E= -349.142896158644     Delta-E=       -0.000052567431 Rises=F Damp=F
 DIIS: error= 2.30D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.142896158644     IErMin= 4 ErrMin= 2.30D-04
 ErrMax= 2.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.27D-05 BMatP= 8.92D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.30D-03
 Coeff-Com: -0.465D-02-0.202D-01 0.386D+00 0.639D+00
 Coeff-En:   0.000D+00 0.000D+00 0.288D+00 0.712D+00
 Coeff:     -0.464D-02-0.202D-01 0.386D+00 0.639D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=9.64D-05 MaxDP=6.62D-03 DE=-5.26D-05 OVMax= 1.37D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.68D-05    CP:  1.12D+00  1.12D+00  1.22D+00  9.33D-01
 E= -349.142927580032     Delta-E=       -0.000031421388 Rises=F Damp=F
 DIIS: error= 1.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.142927580032     IErMin= 5 ErrMin= 1.63D-05
 ErrMax= 1.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-07 BMatP= 4.27D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.219D-02-0.597D-01 0.890D-01 0.216D+00 0.753D+00
 Coeff:      0.219D-02-0.597D-01 0.890D-01 0.216D+00 0.753D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.96D-05 MaxDP=2.17D-03 DE=-3.14D-05 OVMax= 2.30D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.89D-06    CP:  1.12D+00  1.12D+00  1.26D+00  1.01D+00  1.21D+00
 E= -349.142927931040     Delta-E=       -0.000000351008 Rises=F Damp=F
 DIIS: error= 5.24D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.142927931040     IErMin= 6 ErrMin= 5.24D-06
 ErrMax= 5.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-08 BMatP= 3.04D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.904D-03-0.138D-01 0.296D-02 0.207D-01 0.212D+00 0.777D+00
 Coeff:      0.904D-03-0.138D-01 0.296D-02 0.207D-01 0.212D+00 0.777D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=5.62D-06 MaxDP=3.45D-04 DE=-3.51D-07 OVMax= 5.37D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.03D-06    CP:  1.12D+00  1.12D+00  1.26D+00  1.03D+00  1.28D+00
                    CP:  1.10D+00
 E= -349.142927953858     Delta-E=       -0.000000022818 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.142927953858     IErMin= 7 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-09 BMatP= 1.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.212D-04 0.223D-02-0.684D-02-0.154D-01-0.313D-01 0.133D+00
 Coeff-Com:  0.918D+00
 Coeff:     -0.212D-04 0.223D-02-0.684D-02-0.154D-01-0.313D-01 0.133D+00
 Coeff:      0.918D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=2.21D-06 MaxDP=1.37D-04 DE=-2.28D-08 OVMax= 2.90D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.98D-07    CP:  1.12D+00  1.12D+00  1.26D+00  1.03D+00  1.31D+00
                    CP:  1.18D+00  1.20D+00
 E= -349.142927956181     Delta-E=       -0.000000002324 Rises=F Damp=F
 DIIS: error= 4.44D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.142927956181     IErMin= 8 ErrMin= 4.44D-07
 ErrMax= 4.44D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-10 BMatP= 1.23D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.706D-04 0.172D-02-0.230D-02-0.638D-02-0.265D-01-0.233D-01
 Coeff-Com:  0.269D+00 0.787D+00
 Coeff:     -0.706D-04 0.172D-02-0.230D-02-0.638D-02-0.265D-01-0.233D-01
 Coeff:      0.269D+00 0.787D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=3.42D-07 MaxDP=1.30D-05 DE=-2.32D-09 OVMax= 7.03D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.69D-07    CP:  1.12D+00  1.12D+00  1.26D+00  1.04D+00  1.31D+00
                    CP:  1.19D+00  1.30D+00  1.15D+00
 E= -349.142927956348     Delta-E=       -0.000000000167 Rises=F Damp=F
 DIIS: error= 8.71D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.142927956348     IErMin= 9 ErrMin= 8.71D-08
 ErrMax= 8.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.89D-12 BMatP= 1.32D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.153D-04 0.208D-03 0.110D-03-0.945D-04-0.306D-02-0.166D-01
 Coeff-Com: -0.142D-01 0.162D+00 0.872D+00
 Coeff:     -0.153D-04 0.208D-03 0.110D-03-0.945D-04-0.306D-02-0.166D-01
 Coeff:     -0.142D-01 0.162D+00 0.872D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=9.84D-08 MaxDP=6.38D-06 DE=-1.67D-10 OVMax= 2.55D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.42D-08    CP:  1.12D+00  1.12D+00  1.26D+00  1.04D+00  1.31D+00
                    CP:  1.19D+00  1.31D+00  1.22D+00  1.04D+00
 E= -349.142927956379     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 2.64D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -349.142927956379     IErMin=10 ErrMin= 2.64D-08
 ErrMax= 2.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.46D-13 BMatP= 7.89D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.439D-05-0.132D-03 0.240D-03 0.607D-03 0.203D-02-0.584D-03
 Coeff-Com: -0.275D-01-0.495D-01 0.149D+00 0.926D+00
 Coeff:      0.439D-05-0.132D-03 0.240D-03 0.607D-03 0.203D-02-0.584D-03
 Coeff:     -0.275D-01-0.495D-01 0.149D+00 0.926D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=4.10D-08 MaxDP=4.05D-06 DE=-3.12D-11 OVMax= 1.16D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.56D-08    CP:  1.12D+00  1.12D+00  1.26D+00  1.04D+00  1.31D+00
                    CP:  1.19D+00  1.32D+00  1.23D+00  1.10D+00  1.13D+00
 E= -349.142927956373     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 1.25D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -349.142927956379     IErMin=11 ErrMin= 1.25D-08
 ErrMax= 1.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.83D-14 BMatP= 7.46D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-05-0.389D-04 0.290D-04 0.111D-03 0.553D-03 0.122D-02
 Coeff-Com: -0.330D-02-0.204D-01-0.463D-01 0.145D+00 0.923D+00
 Coeff:      0.197D-05-0.389D-04 0.290D-04 0.111D-03 0.553D-03 0.122D-02
 Coeff:     -0.330D-02-0.204D-01-0.463D-01 0.145D+00 0.923D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=7.81D-09 MaxDP=3.15D-07 DE= 6.14D-12 OVMax= 5.52D-07

 SCF Done:  E(RwB97XD) =  -349.142927956     A.U. after   11 cycles
            NFock= 11  Conv=0.78D-08     -V/T= 2.0064
 KE= 3.469153931605D+02 PE=-1.599523982139D+03 EE= 5.093548502088D+02
 Leave Link  502 at Thu Jul  8 22:07:10 2021, MaxMem= 10737418240 cpu:            1489.2 elap:              93.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   292
 NBasis=   292 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    292 NOA=    31 NOB=    31 NVA=   261 NVB=   261

 **** Warning!!: The largest alpha MO coefficient is  0.63717824D+02

 Leave Link  801 at Thu Jul  8 22:07:11 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6192 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.35D-13 8.33D-09 XBig12= 1.00D+00 2.08D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.35D-13 8.33D-09 XBig12= 1.41D-01 6.11D-02.
     11 vectors produced by pass  2 Test12= 1.35D-13 8.33D-09 XBig12= 1.90D-02 2.42D-02.
     11 vectors produced by pass  3 Test12= 1.35D-13 8.33D-09 XBig12= 1.54D-03 7.84D-03.
     11 vectors produced by pass  4 Test12= 1.35D-13 8.33D-09 XBig12= 7.14D-05 1.30D-03.
     11 vectors produced by pass  5 Test12= 1.35D-13 8.33D-09 XBig12= 1.75D-06 2.40D-04.
     11 vectors produced by pass  6 Test12= 1.35D-13 8.33D-09 XBig12= 6.11D-08 4.11D-05.
     11 vectors produced by pass  7 Test12= 1.35D-13 8.33D-09 XBig12= 1.38D-09 6.69D-06.
     11 vectors produced by pass  8 Test12= 1.35D-13 8.33D-09 XBig12= 3.12D-11 7.16D-07.
      8 vectors produced by pass  9 Test12= 1.35D-13 8.33D-09 XBig12= 4.94D-13 9.12D-08.
      2 vectors produced by pass 10 Test12= 1.35D-13 8.33D-09 XBig12= 7.65D-15 1.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.19D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.913229D+02
      2 -0.151898D+01  0.889195D+02
      3 -0.235359D+01  0.399556D+00  0.773615D+02
 Isotropic polarizability for W=    0.093368       85.87 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.282255D+02 -0.197284D+02 -0.257303D+02
      2   0.164960D+02  0.214588D+02  0.123809D+01
      3   0.117295D+02 -0.173042D+01  0.244922D+02
      4  -0.255567D+01 -0.231676D+02 -0.174701D+01
      5  -0.227011D+02 -0.157250D+01 -0.356262D+02
      6   0.555345D+00 -0.288682D+01  0.821883D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.714334D+00  0.410402D+01 -0.348249D+01
      2  -0.126065D+02 -0.184341D+00 -0.171827D+02
      3   0.112505D+02  0.119690D+02  0.117416D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.174510D+00 -0.412491D+01 -0.994925D+01
      2  -0.302918D+01 -0.230235D+01 -0.473557D+02
      3   0.171727D+02  0.396636D+02  0.212784D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.538538D+00  0.123136D+01 -0.103907D+01
      2   0.123136D+01 -0.345673D+00  0.341910D+00
      3  -0.103907D+01  0.341910D+00  0.826224D-01
 OR G Eigenvalues:    -1.6845     0.2440     1.7160  Iso=    -0.0918
 Eigenvectors:
   (1)  -0.585618   0.659093  -0.471857
   (2)   0.087519   0.630126   0.771545
   (3)   0.805849   0.410534  -0.426696
 w=    0.093368 a.u., Optical Rotation Beta=     -0.0918 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =      -46.14 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   42778 ScalPx= 7.41D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.73D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.25D-14 2.78D-09 XBig12= 1.00D+00 3.59D-01.
     30 vectors produced by pass  1 Test12= 2.25D-14 2.78D-09 XBig12= 2.61D-02 2.74D-02.
     30 vectors produced by pass  2 Test12= 2.25D-14 2.78D-09 XBig12= 1.60D-03 5.72D-03.
     30 vectors produced by pass  3 Test12= 2.25D-14 2.78D-09 XBig12= 2.06D-05 4.88D-04.
     30 vectors produced by pass  4 Test12= 2.25D-14 2.78D-09 XBig12= 2.42D-07 4.97D-05.
     30 vectors produced by pass  5 Test12= 2.25D-14 2.78D-09 XBig12= 1.99D-09 5.04D-06.
     30 vectors produced by pass  6 Test12= 2.25D-14 2.78D-09 XBig12= 1.43D-11 3.39D-07.
     30 vectors produced by pass  7 Test12= 2.25D-14 2.78D-09 XBig12= 8.00D-14 2.56D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 1.75D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 1.75D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.64D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.913229D+02 -0.151898D+01 -0.235359D+01
      2  -0.151898D+01  0.889195D+02  0.399556D+00
      3  -0.235359D+01  0.399556D+00  0.773615D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.714334D+00  0.410402D+01 -0.348249D+01
      2  -0.126065D+02 -0.184341D+00 -0.171827D+02
      3   0.112505D+02  0.119690D+02  0.117416D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.282255D+02 -0.197284D+02 -0.257303D+02
      2   0.164960D+02  0.214588D+02  0.123809D+01
      3   0.117295D+02 -0.173042D+01  0.244922D+02
      4  -0.255567D+01 -0.231676D+02 -0.174701D+01
      5  -0.227011D+02 -0.157250D+01 -0.356262D+02
      6   0.555345D+00 -0.288682D+01  0.821883D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.357323D+01  0.489186D+01  0.878176D+00  0.467212D+01 -0.158547D+01
      2   0.489186D+01  0.105370D+00 -0.252142D+01 -0.158547D+01 -0.322032D+01
      3   0.878176D+00 -0.252142D+01  0.802008D+00 -0.222161D+01  0.169525D+01
                 6             7             8             9            10 
      1  -0.222161D+01  0.133137D+01 -0.276666D+01 -0.433666D-01  0.288217D+00
      2   0.169525D+01 -0.276666D+01  0.879224D+00  0.206765D+01 -0.402391D+01
      3   0.173436D+01 -0.433666D-01  0.206765D+01  0.102817D+01  0.266188D+01
                11            12            13            14            15 
      1  -0.402391D+01  0.266188D+01 -0.366934D+01  0.555372D+00  0.728107D+00
      2  -0.403831D+00  0.647109D+00  0.555372D+00  0.305409D+01 -0.151148D+01
      3   0.647109D+00 -0.267074D+01  0.728107D+00 -0.151148D+01 -0.241182D+01
                16            17            18            19            20 
      1   0.415677D+01  0.528364D+00 -0.323859D+01 -0.303899D+01  0.328333D+01
      2   0.528364D+00 -0.158144D+01 -0.350002D+01  0.328333D+01 -0.293019D+00
      3  -0.323859D+01 -0.350002D+01 -0.321872D+01 -0.187281D+01 -0.185177D+00
                21            22            23            24            25 
      1  -0.187281D+01  0.243306D+01  0.909422D+00 -0.154140D+00 -0.225832D+01
      2  -0.185177D+00  0.909422D+00 -0.780803D+01  0.538984D+00  0.199208D-01
      3   0.177432D+01 -0.154140D+00  0.538984D+00  0.214198D+01  0.180990D+01
                26            27            28            29            30 
      1   0.199208D-01  0.180990D+01  0.601486D+01 -0.364437D+01  0.294798D+01
      2  -0.705343D+00  0.203469D+01 -0.364437D+01  0.626431D-01 -0.946798D-01
      3   0.203469D+01  0.595359D+01  0.294798D+01 -0.946798D-01 -0.108113D+01
                31            32            33            34            35 
      1  -0.335496D+01 -0.234390D+00  0.724242D-01  0.412772D+01 -0.273095D+00
      2  -0.234390D+00  0.452104D+01 -0.320556D+00 -0.273095D+00 -0.788550D+00
      3   0.724242D-01 -0.320556D+00 -0.274428D+01 -0.605356D+00 -0.376791D+01
                36            37            38            39            40 
      1  -0.605356D+00 -0.412964D+01  0.307649D+01 -0.373495D+01  0.402697D+01
      2  -0.376791D+01  0.307649D+01  0.972951D+00  0.116958D+00  0.912967D+00
      3  -0.581279D+01 -0.373495D+01  0.116958D+00  0.271609D+01 -0.965421D-01
                41            42            43            44            45 
      1   0.912967D+00 -0.965421D-01 -0.462419D+01 -0.775105D-01  0.354431D+01
      2  -0.504109D+01 -0.289322D-01 -0.775105D-01  0.493608D+00  0.391871D+01
      3  -0.289322D-01  0.338742D+01  0.354431D+01  0.391871D+01  0.148372D+01
                46            47            48            49            50 
      1   0.441994D+01 -0.295186D+01  0.171102D+01 -0.208102D+01 -0.182975D+01
      2  -0.295186D+01 -0.193145D+01  0.705988D+00 -0.182975D+01  0.751209D+01
      3   0.171102D+01  0.705988D+00 -0.139990D+01  0.343390D+00 -0.287190D+00
                51            52            53            54            55 
      1   0.343390D+00  0.139874D+01  0.250120D+00 -0.848323D+00  0.111703D+02
      2  -0.287190D+00  0.250120D+00  0.927411D+00 -0.246634D+01 -0.492238D+01
      3  -0.295863D+01 -0.848323D+00 -0.246634D+01 -0.539038D+01 -0.268894D+01
                56            57            58            59            60 
      1  -0.492238D+01 -0.268894D+01 -0.500720D+01  0.442467D+01  0.160538D+01
      2   0.275429D+01  0.137952D+01  0.442467D+01 -0.413066D+01 -0.205207D+01
      3   0.137952D+01  0.136065D+01  0.160538D+01 -0.205207D+01 -0.163612D+01
                61            62            63            64            65 
      1  -0.355921D+01  0.209313D+01  0.334711D+01  0.571722D+01  0.251702D+01
      2   0.209313D+01 -0.173975D+01 -0.270133D+01  0.251702D+01  0.211773D+01
      3   0.334711D+01 -0.270133D+01 -0.331990D+01 -0.240094D+01 -0.100664D+01
                66            67            68            69            70 
      1  -0.240094D+01  0.176892D+01  0.163264D+01 -0.541980D+00 -0.353090D+01
      2  -0.100664D+01  0.163264D+01  0.150170D+01 -0.901062D+00 -0.136843D+01
      3   0.188340D+01 -0.541980D+00 -0.901062D+00  0.968044D+00  0.242594D+01
                71            72            73            74            75 
      1  -0.136843D+01  0.242594D+01  0.795476D+00  0.157121D+01  0.968568D+00
      2  -0.161806D+01  0.173082D+01  0.157121D+01  0.573728D+00  0.506055D+00
      3   0.173082D+01 -0.243383D+01  0.968568D+00  0.506055D+00  0.955249D+00
                76            77            78            79            80 
      1   0.143556D+01  0.684334D+00  0.537925D+00  0.174991D+01  0.843300D+00
      2   0.684334D+00  0.226056D+01  0.189580D+01  0.843300D+00  0.334482D+01
      3   0.537925D+00  0.189580D+01  0.198133D+01  0.197172D+01  0.276716D+01
                81            82            83            84            85 
      1   0.197172D+01 -0.296714D+00 -0.447705D+00 -0.838824D+00 -0.828304D+00
      2   0.276716D+01 -0.447705D+00 -0.146441D+00  0.744893D-01 -0.422060D+00
      3   0.554186D+01 -0.838824D+00  0.744893D-01 -0.841865D+00 -0.193457D+00
                86            87            88            89            90 
      1  -0.422060D+00 -0.193457D+00 -0.150023D+01 -0.106430D+00 -0.118739D+01
      2   0.265063D+00 -0.101322D+01 -0.106430D+00 -0.125021D+01  0.261745D+00
      3  -0.101322D+01 -0.117363D+01 -0.118739D+01  0.261745D+00 -0.776525D+01
                91            92            93            94            95 
      1  -0.136577D+00  0.122137D+01  0.161544D+00  0.148928D+01 -0.988589D+00
      2   0.122137D+01 -0.725142D+00  0.603779D-01 -0.988589D+00  0.121053D+02
      3   0.161544D+00  0.603779D-01 -0.340194D+00  0.971493D-01 -0.124013D+01
                96            97            98            99           100 
      1   0.971493D-01  0.432817D+00 -0.142506D-01 -0.373257D+00 -0.938313D+01
      2  -0.124013D+01 -0.142506D-01  0.139364D+00  0.111095D+01  0.288383D+01
      3   0.923569D+00 -0.373257D+00  0.111095D+01 -0.774801D+00 -0.115561D+01
               101           102           103           104           105 
      1   0.288383D+01 -0.115561D+01  0.209195D+01 -0.192717D+01  0.133327D+00
      2  -0.227325D+01  0.265434D+00 -0.192717D+01  0.110321D+01 -0.346223D+00
      3   0.265434D+00 -0.105273D+01  0.133327D+00 -0.346223D+00  0.649812D+00
               106           107           108           109           110 
      1  -0.248000D+01  0.728205D+00 -0.131859D+01 -0.439143D+00  0.930347D+00
      2   0.728205D+00 -0.918012D+00  0.972103D+00  0.930347D+00  0.304270D+00
      3  -0.131859D+01  0.972103D+00 -0.301122D+00  0.710410D+00  0.800287D-01
               111           112           113           114           115 
      1   0.710410D+00  0.907867D+00 -0.129659D+00 -0.345026D+00  0.109360D+01
      2   0.800287D-01 -0.129659D+00  0.158152D+01  0.195570D+01 -0.276569D+00
      3   0.489811D+00 -0.345026D+00  0.195570D+01  0.231021D+01 -0.841974D+00
               116           117           118           119           120 
      1  -0.276569D+00 -0.841974D+00  0.461599D+01 -0.213465D+01  0.390113D+01
      2   0.282840D+01  0.303633D+01 -0.213465D+01 -0.473868D+00 -0.489401D+00
      3   0.303633D+01  0.761675D+01  0.390113D+01 -0.489401D+00 -0.166073D+01
               121           122           123           124           125 
      1  -0.290079D+01  0.315821D+00 -0.894041D+00  0.333095D+01 -0.531725D+00
      2   0.315821D+00  0.739221D+01 -0.272022D+00 -0.531725D+00 -0.151869D+01
      3  -0.894041D+00 -0.272022D+00 -0.266644D+01 -0.241921D+01 -0.295094D+01
               126           127           128           129           130 
      1  -0.241921D+01 -0.499185D+01 -0.195484D+01  0.307946D+01 -0.199027D+01
      2  -0.295094D+01 -0.195484D+01 -0.162644D+01  0.778867D+00 -0.175175D+01
      3  -0.662932D+00  0.307946D+01  0.778867D+00 -0.292158D+01  0.831670D+00
               131           132           133           134           135 
      1  -0.175175D+01  0.831670D+00  0.348965D+01  0.961918D+00 -0.313337D+01
      2  -0.113674D+01  0.128497D+01  0.961918D+00  0.137783D+01 -0.178327D+01
      3   0.128497D+01 -0.169008D+01 -0.313337D+01 -0.178327D+01  0.404939D+01
               136           137           138           139           140 
      1   0.227184D+00 -0.110351D+01 -0.108540D+00 -0.148009D+01  0.997559D+00
      2  -0.110351D+01  0.122317D+01 -0.339591D+00  0.997559D+00 -0.948816D+01
      3  -0.108540D+00 -0.339591D+00  0.281009D+00 -0.351021D+00  0.150068D+01
               141           142           143           144           145 
      1  -0.351021D+00 -0.390307D+00 -0.179632D-01  0.239926D+00 -0.394667D+00
      2   0.150068D+01 -0.179632D-01 -0.324883D+00 -0.914751D+00  0.523294D+00
      3  -0.128553D+01  0.239926D+00 -0.914751D+00  0.857068D+00  0.107594D+01
               146           147           148           149           150 
      1   0.523294D+00  0.107594D+01  0.123016D+01  0.354236D+00  0.420963D-01
      2   0.226965D+00 -0.166251D+00  0.354236D+00 -0.264849D-01  0.113051D+01
      3  -0.166251D+00  0.105985D+01  0.420963D-01  0.113051D+01  0.183122D+01
               151           152           153           154           155 
      1   0.149974D+01  0.927890D-01  0.849449D+00  0.208883D+01  0.749508D+00
      2   0.927890D-01  0.123073D+01  0.324406D+00  0.749508D+00  0.106150D+01
      3   0.849449D+00  0.324406D+00  0.930965D+01 -0.155962D+01  0.137824D+00
               156           157           158           159           160 
      1  -0.155962D+01  0.828388D+00  0.503060D+00 -0.653096D-01 -0.194012D+01
      2   0.137824D+00  0.503060D+00 -0.368176D+00 -0.525137D+00 -0.306333D+00
      3   0.272617D+01 -0.653096D-01 -0.525137D+00  0.946212D+00  0.143141D+01
               161           162           163           164           165 
      1  -0.306333D+00  0.143141D+01 -0.819345D+01  0.369991D+00 -0.328610D+01
      2  -0.100621D+01  0.258197D+00  0.369991D+00 -0.142989D+01 -0.292607D-01
      3   0.258197D+00 -0.450036D+01 -0.328610D+01 -0.292607D-01 -0.229227D+01
               166           167           168           169           170 
      1   0.182538D+01 -0.993723D+00  0.809474D+00 -0.223061D+01  0.155052D+00
      2  -0.993723D+00 -0.392037D-01 -0.370254D+00  0.155052D+00 -0.218916D+00
      3   0.809474D+00 -0.370254D+00  0.103641D+01 -0.172371D+01  0.303976D+00
               171           172           173           174           175 
      1  -0.172371D+01 -0.760650D+00 -0.835006D+00 -0.449764D+00 -0.139768D+01
      2   0.303976D+00 -0.835006D+00 -0.992850D-01  0.797677D-01 -0.142751D+01
      3  -0.167258D+01 -0.449764D+00  0.797677D-01  0.212588D+00 -0.337814D+00
               176           177           178           179           180 
      1  -0.142751D+01 -0.337814D+00 -0.973816D-01  0.661772D-01  0.113372D+00
      2  -0.100380D+02 -0.113362D+01  0.661772D-01  0.448685D+00 -0.702177D+00
      3  -0.113362D+01 -0.134402D+01  0.113372D+00 -0.702177D+00  0.124581D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.740606D+01  0.951736D+01 -0.250843D+01  0.834624D+01 -0.135296D+01
      2  -0.885102D+01 -0.988170D+01 -0.788335D+00 -0.832158D+01  0.169849D+01
      3  -0.547474D+01 -0.842201D+01  0.344863D+01  0.118780D+01 -0.147648D+00
                 6             7             8             9            10 
      1   0.668883D+01 -0.114283D+01  0.149077D+02 -0.433804D+01 -0.689729D+01
      2  -0.803813D-01 -0.116137D+02 -0.182334D+01  0.117622D+02  0.863878D+01
      3  -0.734766D+01  0.135409D+01 -0.106858D+02  0.170052D+01  0.130729D+02
                11            12            13            14            15 
      1  -0.287276D+00  0.277850D+01 -0.279581D+01  0.171474D+01 -0.113822D+01
      2   0.156270D+01 -0.275007D+01  0.225787D+01 -0.252926D+01 -0.256900D+01
      3  -0.781487D+01  0.284699D+01 -0.620470D+00 -0.517897D+01  0.448410D+01
                16            17            18            19            20 
      1   0.306517D+01  0.858732D+01  0.642390D+01  0.521549D+01 -0.153333D+01
      2  -0.825285D+01 -0.412005D+01 -0.559435D+01 -0.111228D+01  0.162127D+01
      3   0.433963D+01  0.304664D+01 -0.269775D+00 -0.791988D+01  0.919204D+01
                21            22            23            24            25 
      1  -0.265475D+01  0.133467D+01  0.262898D+01 -0.707501D+01 -0.299902D+01
      2   0.154252D-01 -0.316745D+00  0.345712D+01 -0.103264D+01 -0.546185D+01
      3  -0.550220D+01  0.991919D+01  0.141392D+01 -0.192883D+01 -0.579185D+01
                26            27            28            29            30 
      1  -0.121978D+01 -0.125789D+02 -0.557985D+01  0.355491D+00  0.130324D+01
      2  -0.226656D+00  0.418301D+00 -0.102085D+02  0.131860D+01  0.255824D+01
      3  -0.167351D+01  0.358146D+01  0.221620D+00 -0.864865D+01  0.386046D+01
                31            32            33            34            35 
      1   0.720169D+00  0.384309D+01  0.201835D+01  0.532798D+00  0.743784D+01
      2   0.138041D+01  0.697290D+00  0.463126D+01 -0.378781D+01  0.600251D+01
      3  -0.243625D+01  0.763355D+01  0.115110D+00  0.495912D+01 -0.125329D+01
                36            37            38            39            40 
      1   0.510928D+01 -0.630767D+00  0.425352D+00  0.103239D+01  0.840012D+00
      2   0.831663D+01  0.137795D+02 -0.112842D+01  0.141121D+01 -0.603942D+01
      3  -0.608160D+01  0.812809D+01 -0.488991D+01  0.260378D+01 -0.721644D+00
                41            42            43            44            45 
      1  -0.362560D+01 -0.108397D+01 -0.881788D+00  0.655958D+01  0.259531D+01
      2  -0.179168D+01 -0.334497D+01 -0.199484D+01 -0.438801D+01 -0.275276D+01
      3  -0.100871D+02  0.139558D+01  0.487464D+01  0.123274D+01  0.286115D+01
                46            47            48            49            50 
      1  -0.613988D+00 -0.358885D+01 -0.236196D+01 -0.329621D+01  0.825480D+01
      2  -0.841317D+01  0.484758D+01  0.270239D+00  0.579254D+01  0.159803D+01
      3  -0.347095D+01  0.482478D+01 -0.258414D+01  0.107898D+02 -0.274143D+01
                51            52            53            54            55 
      1  -0.812271D+01  0.144688D+00 -0.125431D+01 -0.833462D+01 -0.439761D+01
      2   0.174296D+01 -0.877097D+01  0.433055D+00 -0.229482D+01 -0.264090D+01
      3   0.116390D+01 -0.355660D+01  0.951307D+00  0.103800D+01  0.131755D+01
                56            57            58            59            60 
      1  -0.435146D+01  0.372333D+01 -0.133913D+01  0.150911D+00 -0.709335D+01
      2   0.420265D+01  0.918034D+01  0.413300D+01 -0.350539D+01 -0.376600D+01
      3  -0.824512D+01 -0.934941D+00  0.805711D+00  0.960846D+01  0.334732D+01
                61            62            63            64            65 
      1   0.115090D+01 -0.120690D+01 -0.604747D+00  0.310098D+01  0.106922D+01
      2   0.450594D+01 -0.123819D+01 -0.103048D+02 -0.223554D+01 -0.224375D+01
      3   0.717479D+00  0.815200D+01  0.107836D+01  0.501298D+01 -0.274015D+01
                66            67            68            69            70 
      1  -0.338410D+01  0.136748D+01  0.117430D+01 -0.272401D+01 -0.354171D+01
      2   0.501602D+01 -0.647446D+00 -0.106180D+01  0.201088D+01  0.220836D+01
      3  -0.154117D+01  0.193099D+01  0.464226D+00  0.257296D-01 -0.359287D+01
                71            72            73            74            75 
      1  -0.471880D+00  0.366986D+01 -0.132073D+01 -0.876862D+00 -0.188024D+01
      2   0.243511D+01 -0.470123D+01  0.110942D+01  0.865147D+00  0.290017D+01
      3   0.155386D+01  0.510093D+00 -0.122370D+01  0.840112D+00  0.646472D+00
                76            77            78            79            80 
      1  -0.672192D+00 -0.141480D+01 -0.390219D+01 -0.293095D+01 -0.377720D+01
      2   0.415999D+00  0.207742D+01  0.291349D+01  0.103118D+01  0.531049D+01
      3   0.278152D+01 -0.209975D+01 -0.177573D+01  0.246986D+01 -0.249982D+01
                81            82            83            84            85 
      1  -0.936979D+01  0.176611D+01  0.833226D+00  0.196595D+01  0.118370D+01
      2   0.919340D+01 -0.571223D-01 -0.496405D+00  0.766551D+00 -0.151791D+01
      3  -0.313528D+00 -0.603595D+00 -0.305403D+01 -0.144413D+01 -0.165726D+01
                86            87            88            89            90 
      1   0.283607D+01  0.304360D+01  0.255089D+01  0.426805D+01  0.156121D+02
      2  -0.582559D+00 -0.136364D-01 -0.371191D+01 -0.490069D+00  0.766821D+00
      3  -0.227082D+00 -0.287182D+00 -0.286899D+01 -0.841099D+00 -0.186823D+01
                91            92            93            94            95 
      1  -0.960485D+00  0.272112D+00  0.512544D+00 -0.317229D+00 -0.202473D+01
      2  -0.150489D-01  0.434344D+00  0.114163D+01  0.187667D+01 -0.158536D+01
      3   0.225362D-01  0.823129D+00  0.870062D+00  0.725229D+01  0.115211D+00
                96            97            98            99           100 
      1  -0.437715D+01  0.350921D+00 -0.910381D+00  0.156983D+01  0.314130D+01
      2  -0.308940D+00 -0.220310D+00 -0.606133D+00 -0.230849D+00  0.607879D+01
      3  -0.338983D+00  0.161425D+01 -0.466047D+00 -0.554272D+00 -0.783685D+01
               101           102           103           104           105 
      1  -0.112562D+01  0.230432D+01 -0.118325D+01  0.908040D+00 -0.201764D+01
      2  -0.204787D+01  0.529896D+01 -0.101308D+01  0.141224D+01 -0.189151D+01
      3  -0.414818D+01 -0.866033D+00  0.111057D+01 -0.258788D+00 -0.562167D+00
               106           107           108           109           110 
      1   0.201675D+01 -0.422882D+00  0.112413D+01  0.109370D+00  0.679497D+00
      2   0.232297D+01 -0.218183D+01  0.174311D+01 -0.733033D+00 -0.642104D+00
      3  -0.269004D+01 -0.187198D+01  0.196782D+00  0.127692D+01  0.101447D+01
               111           112           113           114           115 
      1  -0.914825D+00  0.341253D+00 -0.541687D+00 -0.308277D+01  0.781384D+00
      2  -0.691830D-01 -0.748563D+00 -0.289847D+01 -0.322816D+01 -0.243609D+01
      3   0.657848D+00  0.286106D+01  0.183444D+01  0.243094D+01  0.193757D+01
               116           117           118           119           120 
      1   0.153702D+01 -0.792178D+01  0.904781D+01 -0.170173D+00 -0.281657D+01
      2  -0.420692D+01 -0.112216D+02 -0.300562D+01 -0.767009D+00  0.120315D+02
      3   0.424951D+01  0.327863D+01 -0.108848D+02  0.347996D+00 -0.723011D+01
               121           122           123           124           125 
      1  -0.299499D+01 -0.106309D+02 -0.711866D+01 -0.303422D+01 -0.186996D+01
      2  -0.720677D+00  0.104070D+01  0.428442D+01  0.733631D+01  0.520285D+01
      3   0.676246D+01  0.134877D+02  0.400128D+00 -0.610590D+01 -0.176303D+01
               126           127           128           129           130 
      1   0.325551D+01 -0.789493D-01 -0.203972D+01 -0.129401D+01 -0.126580D+01
      2  -0.156853D+01  0.518248D+00  0.250916D+00  0.334700D+01  0.141750D+01
      3  -0.211390D+01  0.968411D+00 -0.355591D+01 -0.127708D+01  0.528293D+00
               131           132           133           134           135 
      1  -0.690139D+00 -0.144120D+01  0.862724D-01  0.187721D+01  0.888893D+00
      2  -0.319987D+00  0.254180D+01 -0.175630D+01  0.180990D+01 -0.362169D+01
      3  -0.103912D+01  0.145975D+01 -0.284345D+01  0.262253D+01 -0.323449D+00
               136           137           138           139           140 
      1  -0.779665D+00  0.583350D+00  0.193983D+00  0.350290D+00 -0.965159D+01
      2  -0.721588D+00  0.884797D+00  0.136092D+01  0.208695D+01 -0.806346D+00
      3  -0.109826D+01 -0.979698D+00  0.739082D+00  0.535051D+01  0.209077D+01
               141           142           143           144           145 
      1  -0.286119D+01  0.520555D+00 -0.215861D+00 -0.267975D+00  0.125549D+01
      2  -0.318571D+00 -0.444394D+00 -0.227298D+00 -0.119300D+00  0.111157D+01
      3   0.229423D+00  0.761875D+00  0.804876D+00  0.165091D+00  0.883356D+00
               146           147           148           149           150 
      1   0.292555D+00  0.227138D+01 -0.386675D+00  0.133059D+01  0.367907D+01
      2  -0.557460D+00 -0.851505D+00 -0.182106D+01 -0.341813D-01 -0.357535D+00
      3  -0.178653D+01 -0.160391D+01 -0.161306D+00 -0.290404D+00 -0.923693D+00
               151           152           153           154           155 
      1   0.735209D+00  0.442569D+01  0.119828D+02 -0.410888D+01 -0.294364D+01
      2  -0.359988D+01  0.326395D+00  0.296526D-01  0.790829D+01  0.156616D+01
      3  -0.133568D+01 -0.440354D+00 -0.216408D+01 -0.214018D+01 -0.759349D+00
               156           157           158           159           160 
      1   0.419189D+01 -0.148116D+01 -0.147138D+01  0.152080D+01  0.360110D+01
      2  -0.587915D+01  0.205997D+01  0.196514D+01 -0.176275D+01 -0.811020D+01
      3   0.236298D+01  0.367570D+00 -0.110316D+01 -0.659948D+00  0.221530D+01
               161           162           163           164           165 
      1   0.425405D+01 -0.686127D+01 -0.545563D+01  0.265709D+01 -0.284739D+01
      2  -0.161904D+01  0.911596D+01 -0.300975D+01  0.982747D+00  0.381982D+01
      3  -0.354542D+00 -0.199857D+01  0.109820D+02 -0.634301D+01  0.401271D+01
               166           167           168           169           170 
      1   0.181079D+01 -0.964607D+00  0.849645D+00 -0.232954D+01  0.199326D+01
      2   0.724622D+00 -0.148804D+00 -0.182930D+01 -0.161385D+01 -0.631827D+00
      3  -0.323310D+01  0.194493D+01 -0.126835D+01  0.349407D+01 -0.127620D+01
               171           172           173           174           175 
      1  -0.256571D+01 -0.218750D+00  0.231678D+00  0.384760D+00  0.614201D+00
      2   0.216813D+01  0.682623D+00 -0.570763D+00 -0.944625D-01 -0.999047D+00
      3   0.292579D+01 -0.474233D+00 -0.121508D+00  0.733427D+00  0.284719D+01
               176           177           178           179           180 
      1   0.932541D+01 -0.444751D+01  0.564243D+00 -0.321223D-01  0.812439D+00
      2   0.131740D+01  0.237857D+01 -0.129472D+01  0.997748D+00  0.720846D-01
      3  -0.161784D+02 -0.113577D+01  0.475177D-01  0.512195D+00 -0.164847D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.222404D+02  0.136065D+02 -0.191709D+01  0.205719D+02 -0.746520D+01
      2   0.833466D+01 -0.397521D+01 -0.356912D+01 -0.145239D+02  0.785298D+00
      3   0.139057D+02 -0.963131D+01  0.548621D+01 -0.604796D+01  0.667990D+01
      4   0.250877D+02 -0.116576D+02 -0.820799D+01 -0.162335D+02 -0.321653D+00
      5   0.916558D+01 -0.569427D+01 -0.341014D+01 -0.897046D+01  0.525130D+01
      6  -0.423531D+01  0.781589D+01  0.198783D+01  0.774383D+00 -0.466681D+01
                 6             7             8             9            10 
      1  -0.852036D+01  0.130573D+02 -0.957098D+01 -0.225215D+01  0.199847D+00
      2   0.426278D+01 -0.623088D+01  0.176508D+01 -0.319773D+01 -0.311354D+01
      3   0.425757D+01 -0.682639D+01  0.780589D+01  0.544987D+01  0.291369D+01
      4   0.378533D+01 -0.124884D+02  0.112331D+02  0.996152D+01 -0.996347D+01
      5   0.800021D+01  0.228516D+01  0.544769D+01  0.128205D+02  0.105326D+02
      6  -0.762754D+01  0.352855D+01 -0.242495D+01  0.654491D+00  0.962843D+01
                11            12            13            14            15 
      1  -0.871292D+01  0.947856D+01 -0.716575D+01 -0.298817D+01  0.545780D+01
      2   0.544123D+01 -0.492730D+01  0.447018D+01  0.126913D+02 -0.342893D+01
      3   0.327168D+01 -0.455126D+01  0.269556D+01 -0.970308D+01 -0.202886D+01
      4  -0.970223D+01  0.860837D+01 -0.207001D+01  0.266944D-01 -0.262164D+01
      5   0.609577D+01 -0.105643D+02  0.411745D+01 -0.162751D+01 -0.859547D+01
      6  -0.166322D+01 -0.701606D+01  0.148234D+01 -0.209364D+01 -0.577472D+01
                16            17            18            19            20 
      1   0.879617D+01  0.904564D+01 -0.124714D+00 -0.590957D+01 -0.192921D+01
      2  -0.429469D+01 -0.499436D+01 -0.158155D+01  0.794878D+01  0.335989D+01
      3  -0.450149D+01 -0.405128D+01  0.170626D+01 -0.203921D+01 -0.143068D+01
      4   0.102254D+02 -0.620026D+01 -0.187414D+02 -0.543155D+01  0.235593D+00
      5  -0.122156D+02 -0.125887D+02 -0.714153D+01  0.195598D+01 -0.173206D+01
      6  -0.988905D+01 -0.139568D+02 -0.132669D+02 -0.785927D+01 -0.215699D+00
                21            22            23            24            25 
      1   0.233395D+01 -0.173480D+01  0.261861D+02  0.399589D+00  0.313205D+01
      2  -0.159951D+00  0.493213D+01 -0.483673D+02  0.487891D+01  0.398089D+00
      3  -0.217400D+01 -0.319732D+01  0.221812D+02 -0.527850D+01 -0.353014D+01
      4  -0.464726D+01  0.588016D+01  0.104577D+02 -0.146101D+01 -0.491233D+01
      5  -0.146151D+01  0.586659D-01 -0.925952D+00 -0.895380D+00  0.830861D+00
      6   0.521772D+01 -0.206960D+01  0.795304D+01  0.770980D+01  0.418282D+01
                26            27            28            29            30 
      1   0.774180D+00  0.433977D+01 -0.228117D+02  0.144867D+02 -0.999186D+01
      2  -0.840419D+00  0.121598D+02  0.474456D+01 -0.809917D+01  0.668653D+01
      3   0.662396D-01 -0.164995D+02  0.180671D+02 -0.638750D+01  0.330534D+01
      4   0.121532D+01  0.280808D+01  0.205805D+02 -0.692991D+01  0.604875D+01
      5  -0.596318D+00 -0.454415D+01 -0.970100D+01  0.607642D+00  0.407185D+01
      6   0.764813D+01  0.167527D+02  0.360075D+01  0.880640D+00 -0.338133D+01
                31            32            33            34            35 
      1   0.974165D+01 -0.259040D+01  0.544567D+01 -0.118402D+02  0.626472D+01
      2  -0.536025D+01  0.878562D+01  0.146605D+01  0.621819D+01  0.401970D+01
      3  -0.438140D+01 -0.619522D+01 -0.691172D+01  0.562204D+01 -0.102844D+02
      4  -0.841233D+01 -0.785494D+01  0.871260D+00  0.976434D+01  0.350546D+01
      5   0.880167D-01 -0.250189D+01  0.631611D+01  0.143010D+01  0.927748D+01
      6  -0.624820D+00 -0.205658D+01 -0.958524D+01  0.532096D+00 -0.952888D+01
                36            37            38            39            40 
      1   0.110968D+02  0.119142D+01 -0.857280D+01  0.142628D+02 -0.574200D+01
      2  -0.643912D-01  0.177184D+01  0.531358D+01 -0.969696D+01  0.423281D+01
      3  -0.110324D+02 -0.296326D+01  0.325922D+01 -0.456580D+01  0.150919D+01
      4   0.100490D+02 -0.667543D+01 -0.559283D+01  0.627306D+01 -0.759418D+01
      5   0.124665D+02  0.174741D+02  0.569035D+01 -0.144504D+02  0.236041D+01
      6  -0.199024D+02  0.920488D+01 -0.320828D+00 -0.584040D+01  0.292336D+01
                41            42            43            44            45 
      1  -0.514958D+01 -0.811895D+00  0.108369D+02  0.228067D+01 -0.100975D+02
      2   0.706966D+01 -0.612962D+00 -0.862429D+01 -0.599947D+01  0.324571D+01
      3  -0.192008D+01  0.142486D+01 -0.221259D+01  0.371880D+01  0.685175D+01
      4   0.625151D+01  0.166976D+01  0.404651D+01 -0.323101D+01 -0.164721D+02
      5   0.409196D+01 -0.105126D+02 -0.158849D+02 -0.135975D+02  0.318069D+01
      6  -0.290175D+00 -0.705441D+01 -0.911971D+01 -0.596805D+01  0.127693D+01
                46            47            48            49            50 
      1   0.366471D+00 -0.544381D+01  0.296151D+01 -0.207521D+01  0.141278D+02
      2  -0.119524D+01  0.708696D+01  0.359736D+01  0.359395D+01 -0.259288D+02
      3   0.828769D+00 -0.164315D+01 -0.655887D+01 -0.151875D+01  0.118010D+02
      4  -0.641640D+01  0.715908D+00 -0.853581D+00  0.329998D+01  0.848725D+01
      5  -0.387330D+01 -0.933987D+00  0.286903D+01 -0.792749D+00 -0.261900D+01
      6  -0.602342D+01 -0.438378D+01  0.282138D+01 -0.253458D+01  0.961495D+01
                51            52            53            54            55 
      1   0.603998D+01 -0.283189D+01  0.526183D+01  0.153787D+02  0.599562D+02
      2   0.718802D+01  0.205060D+01  0.175124D+01  0.131341D+02 -0.275111D+02
      3  -0.132280D+02  0.781289D+00 -0.701307D+01 -0.285127D+02 -0.324451D+02
      4  -0.464525D+00 -0.278302D+00 -0.279595D+00 -0.408719D+00 -0.358611D+02
      5   0.755172D+00  0.373676D+01 -0.692253D+00 -0.647335D+01 -0.137876D+02
      6   0.496334D+01  0.712191D+00  0.544829D+01  0.247368D+01  0.546844D+01
                56            57            58            59            60 
      1  -0.171752D+02 -0.842220D+01 -0.191210D+02  0.874665D+01  0.223789D+01
      2   0.415444D+01  0.698850D+01  0.555661D+01  0.508313D+01 -0.270744D+00
      3   0.130208D+02  0.143370D+01  0.135644D+02 -0.138298D+02 -0.196714D+01
      4   0.263562D+02  0.760949D+01  0.306355D+02 -0.245677D+02 -0.826949D+01
      5   0.558814D+01  0.157954D+02  0.792712D+01 -0.694573D+01 -0.984272D+01
      6  -0.375133D+01 -0.599866D+01 -0.430334D+01  0.828975D+01  0.108619D+02
                61            62            63            64            65 
      1  -0.120369D+02  0.381317D+01  0.528812D+01  0.209006D+02  0.567477D+01
      2   0.935374D+01 -0.349412D+00 -0.828536D+01 -0.872901D+01  0.457702D+00
      3   0.268312D+01 -0.346376D+01  0.299723D+01 -0.121716D+02 -0.613248D+01
      4   0.125425D+02 -0.953762D+01 -0.130227D+02  0.230285D+02  0.156329D+02
      5   0.200597D+02 -0.115466D+02 -0.189245D+02 -0.135064D+02 -0.564230D+01
      6  -0.830023D+01  0.120646D+02  0.750327D+01 -0.750340D+01 -0.407098D+01
                66            67            68            69            70 
      1  -0.699718D+01  0.132421D+01 -0.100217D+00  0.710901D+00 -0.840504D+01
      2   0.412144D+01  0.374054D+01  0.463533D+01 -0.264158D+01  0.512400D+01
      3   0.287574D+01 -0.506474D+01 -0.453512D+01  0.193068D+01  0.328103D+01
      4  -0.940166D+01  0.122453D+02  0.106385D+02 -0.523045D+01 -0.135482D+02
      5   0.110478D+02 -0.294364D+01 -0.448197D+01  0.370315D+01  0.128180D+02
      6   0.637141D+01 -0.378108D+01 -0.500866D+01  0.620161D+01  0.787727D+01
                71            72            73            74            75 
      1  -0.109487D+01  0.169168D+01  0.121007D+01  0.321174D+01  0.185462D+01
      2  -0.163791D+01 -0.362411D+01  0.694014D-01 -0.105411D+01 -0.185163D+01
      3   0.273278D+01  0.193242D+01 -0.127947D+01 -0.215763D+01 -0.298866D-02
      4  -0.924651D+01  0.108772D+02  0.709199D+01  0.759619D+01  0.509340D+01
      5   0.749339D+01 -0.117176D+02  0.510709D+01  0.277981D+01  0.730493D+01
      6   0.778950D+01 -0.789228D+01  0.403028D+01  0.277016D+01  0.355270D+01
                76            77            78            79            80 
      1   0.154046D+01 -0.620879D+01 -0.430712D+01  0.294766D+01 -0.688511D+01
      2   0.551062D+00  0.790074D+01  0.469369D+01 -0.243321D+01  0.643520D+01
      3  -0.209153D+01 -0.169195D+01 -0.386571D+00 -0.514449D+00  0.449909D+00
      4   0.688816D+01  0.891716D+01  0.721122D+01  0.824269D+01  0.133728D+02
      5   0.198986D+01  0.584564D+01  0.574316D+01  0.970503D+01  0.993827D+01
      6   0.341658D+01  0.967661D+01  0.112932D+02  0.742142D+01  0.152363D+02
                81            82            83            84            85 
      1  -0.695366D+01  0.166090D+01  0.445117D+00 -0.265310D+00  0.513426D-01
      2  -0.157821D+01 -0.474046D+01 -0.105341D+01 -0.102626D+01 -0.144786D+01
      3   0.853187D+01  0.307955D+01  0.608297D+00  0.129157D+01  0.139652D+01
      4   0.139060D+02 -0.719357D+00  0.191491D+01 -0.173348D+01 -0.429069D+00
      5   0.180004D+02  0.225036D+01  0.445763D+00  0.740220D+01  0.592153D+00
      6   0.215377D+02 -0.145916D+01  0.110461D+01 -0.279260D+01  0.544641D+00
                86            87            88            89            90 
      1  -0.312875D+01 -0.663694D-01 -0.133966D+01  0.313855D+01 -0.161893D+02
      2   0.303244D+01 -0.471386D+01 -0.241889D+01 -0.442768D+01 -0.140220D+02
      3   0.963157D-01  0.478023D+01  0.375855D+01  0.128913D+01  0.302113D+02
      4  -0.803769D+00  0.104476D+01 -0.357390D+01  0.176248D+01 -0.179980D+01
      5   0.988929D+00  0.932897D+00  0.537804D+01  0.513205D-02  0.731143D+01
      6  -0.226021D+01  0.111579D-01 -0.302772D+01  0.584657D+01 -0.222079D+02
                91            92            93            94            95 
      1  -0.193395D+01  0.133239D+01 -0.430189D+00  0.254091D+01 -0.417879D+02
      2   0.642454D+01 -0.382708D+01  0.157866D+00 -0.509365D+01  0.744125D+02
      3  -0.449058D+01  0.249469D+01  0.272323D+00  0.255274D+01 -0.326246D+02
      4  -0.198684D+01  0.108389D+02 -0.513873D+00  0.934361D+01 -0.113775D+02
      5   0.702735D-01 -0.165124D+01  0.187021D+01 -0.142835D+01  0.226377D+01
      6  -0.133007D+00  0.589334D+00 -0.901821D+00  0.110253D+01 -0.135727D+02
                96            97            98            99           100 
      1   0.465423D+01 -0.243823D+00  0.318108D+00 -0.515567D+01  0.448244D+02
      2  -0.610471D+01 -0.366215D+00  0.102295D+01  0.477405D+01 -0.185326D+02
      3   0.145048D+01  0.610038D+00 -0.134106D+01  0.381622D+00 -0.262918D+02
      4   0.106062D+01  0.691906D+00 -0.143397D+00 -0.129501D+01 -0.310751D+02
      5  -0.846819D+00  0.108529D+01 -0.706586D+00  0.590401D+00  0.315835D+01
      6   0.888427D+01 -0.137509D+01  0.916274D+01 -0.280260D+01 -0.681278D+00
               101           102           103           104           105 
      1  -0.103409D+02  0.526077D+01 -0.610449D+01  0.482858D+01 -0.797933D+00
      2   0.627734D+00 -0.209531D+01 -0.165393D+01  0.179975D+01 -0.103268D+01
      3   0.971315D+01 -0.316546D+01  0.775843D+01 -0.662834D+01  0.183061D+01
      4   0.173818D+02 -0.343361D+01  0.157221D+02 -0.994373D+01  0.211289D+01
      5  -0.458834D+00  0.707311D+01 -0.444372D+00  0.156234D+01 -0.227292D+01
      6  -0.240910D+00 -0.282303D+01  0.186714D+00 -0.841415D+00  0.337678D+01
               106           107           108           109           110 
      1   0.922380D+01 -0.255789D+01  0.312876D+01  0.149068D+01 -0.384609D+01
      2  -0.391692D+01 -0.126125D+01 -0.241919D+01 -0.134959D+01  0.238026D+01
      3  -0.530688D+01  0.381914D+01 -0.709567D+00 -0.141083D+00  0.146583D+01
      4  -0.847048D+01  0.470126D+01 -0.520915D+01 -0.312225D+01  0.273908D+01
      5   0.805433D+01 -0.365303D+01  0.316887D+01 -0.133722D+01  0.151964D+01
      6  -0.325946D+01  0.353167D+01 -0.496866D+00  0.244239D+01  0.721994D+00
               111           112           113           114           115 
      1  -0.233147D+01 -0.200226D+01 -0.705261D+01 -0.627614D+01 -0.163563D+01
      2   0.104276D+01  0.106882D+01  0.541975D+01  0.338044D+01  0.207767D+01
      3   0.128871D+01  0.933440D+00  0.163285D+01  0.289570D+01 -0.442039D+00
      4   0.198115D+01  0.452977D+01 -0.417237D+01 -0.559861D+01  0.420217D+01
      5   0.393663D+01  0.225842D+01 -0.449591D+01 -0.533254D+01  0.713580D+01
      6   0.227269D+01 -0.146800D+01  0.103681D+02  0.139420D+02 -0.331042D+01
               116           117           118           119           120 
      1  -0.799938D+01 -0.154154D+02 -0.226928D+02  0.826834D+01 -0.229140D+02
      2   0.237663D+01 -0.815808D+01  0.231472D+02 -0.439644D+01  0.666624D+01
      3   0.562275D+01  0.235735D+02 -0.454393D+00 -0.387189D+01  0.162478D+02
      4  -0.838795D+01 -0.101609D+02  0.119639D+01  0.553343D+01 -0.489419D+01
      5  -0.844544D+01 -0.196837D+02 -0.207941D+02  0.449777D+01 -0.346844D+01
      6   0.145825D+02  0.256401D+02 -0.256910D+01  0.192441D+00  0.565898D+01
               121           122           123           124           125 
      1   0.134939D+02  0.138629D+02  0.787686D+00 -0.203891D+02 -0.244540D+01
      2  -0.101914D+02 -0.327733D+02 -0.600260D+01  0.717335D+01 -0.100643D+01
      3  -0.330245D+01  0.189104D+02  0.521491D+01  0.132157D+02  0.345184D+01
      4   0.404583D+01 -0.219267D+02  0.170307D+01 -0.425591D+01  0.507240D+01
      5   0.739927D+01  0.143238D+01  0.736622D+01 -0.122837D+01  0.911533D+01
      6   0.313551D+00 -0.772905D+01  0.766391D+01  0.721243D+01  0.747436D+01
               126           127           128           129           130 
      1   0.313651D+01  0.201369D+02  0.568137D+01 -0.101863D+02  0.451873D+01
      2   0.411847D+01 -0.142594D+02 -0.335023D+01  0.952005D+01 -0.134341D+01
      3  -0.725498D+01 -0.587753D+01 -0.233113D+01  0.666254D+00 -0.317532D+01
      4   0.141570D+02  0.143444D+02  0.101662D+02 -0.763760D+01  0.112029D+02
      5   0.623886D+01 -0.212065D+02 -0.635873D+01  0.184493D+02 -0.621691D+01
      6   0.528523D+01 -0.753839D+01 -0.409480D+01  0.710275D+01 -0.513196D+01
               131           132           133           134           135 
      1   0.191854D+01 -0.943322D+00 -0.844382D+01 -0.115307D+01  0.409638D+01
      2   0.316491D+00  0.385697D+00  0.100646D+02  0.252070D+01 -0.118854D+02
      3  -0.223503D+01  0.557625D+00 -0.162080D+01 -0.136763D+01  0.778903D+01
      4   0.790503D+01 -0.658778D+01 -0.842661D+01 -0.606540D+01  0.930073D+01
      5  -0.728428D+01  0.731117D+01  0.195816D+02  0.821916D+01 -0.213749D+02
      6  -0.591768D+01  0.831174D+01  0.728060D+01  0.714438D+01 -0.100503D+02
               136           137           138           139           140 
      1  -0.149473D+00  0.180898D+01 -0.892723D+00  0.108796D+01 -0.256082D+02
      2   0.398311D+01 -0.397808D+01  0.387234D+00 -0.251415D+01  0.414442D+02
      3  -0.383364D+01  0.216910D+01  0.505490D+00  0.142619D+01 -0.158360D+02
      4  -0.222389D+01  0.948598D+01 -0.123260D+01  0.717143D+01 -0.717127D+01
      5   0.806936D+00 -0.311751D+01  0.212116D+01 -0.255108D+01  0.298236D+01
      6  -0.168790D+01  0.232779D+01 -0.117062D+01  0.257850D+01 -0.183763D+02
               141           142           143           144           145 
      1   0.536096D+01 -0.388266D+00  0.189275D+00 -0.466672D+01 -0.127214D+00
      2  -0.461066D+01 -0.450870D+00  0.206075D+01  0.187396D+01 -0.444664D+01
      3  -0.750295D+00  0.839136D+00 -0.225003D+01  0.279276D+01  0.457385D+01
      4   0.167827D+01  0.115685D+00 -0.106746D+01 -0.642568D+00  0.102075D+01
      5  -0.133613D+01  0.902671D+00 -0.396194D+00  0.675113D+00  0.279786D+01
      6   0.965698D+01 -0.782321D+00  0.656053D+01 -0.261895D+01 -0.284495D+00
               146           147           148           149           150 
      1   0.837452D+00 -0.187023D+01  0.136119D+01 -0.388667D+01 -0.452868D+01
      2  -0.334524D+00 -0.267659D+01 -0.780842D+00  0.138910D+00 -0.567306D+01
      3  -0.502927D+00  0.454682D+01 -0.580350D+00  0.374776D+01  0.102017D+02
      4   0.135075D+01 -0.166352D+01 -0.370019D+00  0.645044D-01  0.687931D+00
      5   0.513735D+00  0.860111D+01  0.162543D+01  0.926937D+00  0.195739D+01
      6   0.125793D+01 -0.186563D+01  0.714309D+00  0.253965D+00  0.353296D+01
               151           152           153           154           155 
      1   0.249608D+00  0.505647D+00 -0.264670D+02 -0.329699D+01 -0.360587D+00
      2  -0.248890D+01 -0.300422D+01 -0.212648D+02 -0.354189D+01 -0.147249D+01
      3   0.223929D+01  0.249858D+01  0.477318D+02  0.683888D+01  0.183307D+01
      4  -0.250095D+01  0.801515D+00 -0.141856D+01 -0.593812D+01 -0.228393D+01
      5   0.641165D+01  0.203472D+00  0.858568D+01 -0.223167D+01 -0.148073D+01
      6  -0.105975D+01  0.584058D+01 -0.118888D+02  0.163464D+01 -0.308527D+01
               156           157           158           159           160 
      1   0.108770D+02 -0.263929D+01 -0.393791D+01  0.104911D+01  0.987824D+01
      2   0.206602D+01  0.109425D+01  0.347081D+01  0.293693D+01  0.773041D+00
      3  -0.129430D+02  0.154504D+01  0.467097D+00 -0.398604D+01 -0.106513D+02
      4   0.336734D+01 -0.102884D+01  0.102609D+01  0.938569D+00  0.531342D+01
      5   0.301838D+00 -0.181223D+01 -0.258607D+00 -0.207256D+01  0.424155D+01
      6  -0.588079D+01 -0.123816D+01  0.909013D+00  0.102071D+01 -0.217028D+01
               161           162           163           164           165 
      1   0.520279D+00 -0.145676D+02  0.467057D+02 -0.411671D+01  0.134975D+02
      2   0.255694D+01 -0.863731D+01 -0.308671D+02  0.484291D+01 -0.125813D+02
      3  -0.307722D+01  0.232049D+02 -0.158386D+02 -0.726201D+00 -0.916250D+00
      4   0.251549D+01 -0.461433D+01  0.114784D+02  0.792395D+01  0.489490D+01
      5   0.131982D+00  0.369304D+01  0.282053D+02 -0.103018D+01  0.182033D+02
      6   0.369575D+01  0.772037D+01  0.285857D+01  0.408411D+01  0.314490D+01
               166           167           168           169           170 
      1  -0.105396D+02  0.346029D+01 -0.283486D+01  0.102976D+02 -0.167688D+00
      2   0.808087D+01 -0.728284D-01  0.395353D+01 -0.998509D+01  0.130220D+01
      3   0.245871D+01 -0.338746D+01 -0.111867D+01 -0.312506D+00 -0.113451D+01
      4   0.420352D+01 -0.226914D+00  0.138870D+01  0.376716D+01  0.146353D+01
      5  -0.638263D+01  0.296525D+01 -0.513909D+01  0.154158D+02 -0.163602D+01
      6   0.213458D+01 -0.446994D+00  0.597058D+00  0.191092D+01  0.177337D+01
               171           172           173           174           175 
      1   0.586179D+01  0.228281D+01  0.311959D+01  0.255374D+01  0.190485D+01
      2  -0.958697D+01  0.980475D+00 -0.111131D+01 -0.108054D+01  0.356288D+01
      3   0.372518D+01 -0.326328D+01 -0.200828D+01 -0.147320D+01 -0.546773D+01
      4   0.100001D+01  0.406589D+01  0.721428D+01  0.742465D+00  0.122926D+02
      5   0.112658D+02  0.255973D+01  0.760772D+00  0.166846D+01  0.312562D+01
      6   0.195805D+01  0.110636D+01  0.819367D-01 -0.459410D+00  0.262647D+01
               176           177           178           179           180 
      1  -0.225061D+02 -0.332350D+01  0.704104D+00 -0.504061D+00 -0.370316D+01
      2   0.487156D+02  0.247849D+01 -0.454292D+00 -0.255660D+01  0.342482D+01
      3  -0.262094D+02  0.845015D+00 -0.249812D+00  0.306066D+01  0.278349D+00
      4   0.330731D+02  0.372753D+01 -0.456568D+00 -0.148417D+01  0.172572D+01
      5   0.282999D+01  0.476078D+01  0.157958D+01  0.250775D+01 -0.491169D+00
      6   0.165944D+02  0.937603D+01  0.116745D+00  0.699897D+01  0.724125D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 22:23:48 2021, MaxMem= 10737418240 cpu:           15931.6 elap:             996.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25783 -10.38288 -10.31149 -10.30433 -10.30143
 Alpha  occ. eigenvalues --  -10.29943 -10.29939 -10.28909  -1.14731  -0.94780
 Alpha  occ. eigenvalues --   -0.87485  -0.83413  -0.79145  -0.71932  -0.67432
 Alpha  occ. eigenvalues --   -0.61990  -0.57275  -0.55206  -0.54718  -0.53977
 Alpha  occ. eigenvalues --   -0.51398  -0.50519  -0.48804  -0.47116  -0.45370
 Alpha  occ. eigenvalues --   -0.44517  -0.43436  -0.40911  -0.40658  -0.40308
 Alpha  occ. eigenvalues --   -0.32395
 Alpha virt. eigenvalues --    0.02856   0.04211   0.04278   0.05056   0.06062
 Alpha virt. eigenvalues --    0.06340   0.06596   0.06654   0.07081   0.07874
 Alpha virt. eigenvalues --    0.09020   0.09400   0.09702   0.11280   0.12322
 Alpha virt. eigenvalues --    0.13240   0.13741   0.14001   0.14237   0.14521
 Alpha virt. eigenvalues --    0.15027   0.15733   0.16223   0.16804   0.17104
 Alpha virt. eigenvalues --    0.17254   0.17514   0.17763   0.18564   0.18902
 Alpha virt. eigenvalues --    0.19171   0.19721   0.19833   0.20589   0.20963
 Alpha virt. eigenvalues --    0.21352   0.22662   0.24028   0.24242   0.24550
 Alpha virt. eigenvalues --    0.25257   0.26347   0.27313   0.27734   0.29135
 Alpha virt. eigenvalues --    0.29784   0.29923   0.30710   0.31720   0.32447
 Alpha virt. eigenvalues --    0.33271   0.34061   0.34426   0.35008   0.35893
 Alpha virt. eigenvalues --    0.36501   0.37176   0.37216   0.38015   0.39105
 Alpha virt. eigenvalues --    0.39992   0.40724   0.41077   0.41713   0.42715
 Alpha virt. eigenvalues --    0.43053   0.43506   0.44243   0.44664   0.45212
 Alpha virt. eigenvalues --    0.46275   0.46867   0.47830   0.48680   0.49397
 Alpha virt. eigenvalues --    0.49756   0.49873   0.50937   0.51538   0.51907
 Alpha virt. eigenvalues --    0.53175   0.53501   0.54542   0.54997   0.55567
 Alpha virt. eigenvalues --    0.56635   0.57591   0.58425   0.58893   0.59841
 Alpha virt. eigenvalues --    0.60880   0.62425   0.63297   0.63779   0.64422
 Alpha virt. eigenvalues --    0.66083   0.66207   0.66600   0.67152   0.68025
 Alpha virt. eigenvalues --    0.68701   0.69465   0.70232   0.71265   0.71890
 Alpha virt. eigenvalues --    0.72428   0.73120   0.74323   0.75351   0.76068
 Alpha virt. eigenvalues --    0.76298   0.76599   0.77656   0.78413   0.79243
 Alpha virt. eigenvalues --    0.80424   0.80723   0.81933   0.82319   0.82911
 Alpha virt. eigenvalues --    0.83780   0.84637   0.84884   0.85638   0.87033
 Alpha virt. eigenvalues --    0.87207   0.88809   0.89925   0.90656   0.90988
 Alpha virt. eigenvalues --    0.92166   0.92989   0.95847   0.97093   0.97835
 Alpha virt. eigenvalues --    0.98900   1.01470   1.02008   1.03894   1.04193
 Alpha virt. eigenvalues --    1.07697   1.08490   1.09987   1.11262   1.13624
 Alpha virt. eigenvalues --    1.16801   1.18202   1.19883   1.21720   1.22380
 Alpha virt. eigenvalues --    1.23164   1.24923   1.26016   1.27741   1.28376
 Alpha virt. eigenvalues --    1.30596   1.32751   1.34061   1.37203   1.38654
 Alpha virt. eigenvalues --    1.39180   1.41941   1.42450   1.44819   1.48796
 Alpha virt. eigenvalues --    1.49642   1.50844   1.52478   1.55017   1.56741
 Alpha virt. eigenvalues --    1.58050   1.60458   1.63067   1.66036   1.68123
 Alpha virt. eigenvalues --    1.68968   1.70485   1.72192   1.74151   1.75531
 Alpha virt. eigenvalues --    1.75889   1.77082   1.78381   1.79729   1.82691
 Alpha virt. eigenvalues --    1.84256   1.85022   1.85952   1.87235   1.89407
 Alpha virt. eigenvalues --    1.90851   1.92180   1.93268   1.95834   1.96178
 Alpha virt. eigenvalues --    1.97973   1.98674   1.99614   2.01028   2.01857
 Alpha virt. eigenvalues --    2.03770   2.04522   2.06464   2.08314   2.10050
 Alpha virt. eigenvalues --    2.12091   2.12973   2.14766   2.14920   2.15889
 Alpha virt. eigenvalues --    2.17777   2.20687   2.21819   2.24706   2.27414
 Alpha virt. eigenvalues --    2.28691   2.30594   2.31568   2.33116   2.33851
 Alpha virt. eigenvalues --    2.36770   2.38463   2.40069   2.41461   2.43560
 Alpha virt. eigenvalues --    2.46109   2.47627   2.50657   2.53906   2.54904
 Alpha virt. eigenvalues --    2.57672   2.58219   2.62589   2.62985   2.65699
 Alpha virt. eigenvalues --    2.67190   2.68077   2.69835   2.71617   2.75466
 Alpha virt. eigenvalues --    2.76148   2.78318   2.83966   2.85678   2.90589
 Alpha virt. eigenvalues --    2.94201   2.94818   2.98500   2.99303   3.03619
 Alpha virt. eigenvalues --    3.10152   3.13534   3.26239   3.39661   3.54841
 Alpha virt. eigenvalues --    3.55189   3.57961   3.67275   3.75633   3.86067
 Alpha virt. eigenvalues --    3.91898
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.386588  -0.233695  -0.121763   0.044993  -0.270704  -0.163818
     2  C   -0.233695   5.739429   0.427119  -0.284875  -0.257680  -0.268355
     3  C   -0.121763   0.427119   5.214219   0.454629  -0.586647  -0.158821
     4  C    0.044993  -0.284875   0.454629   5.416426  -0.259389  -0.111524
     5  C   -0.270704  -0.257680  -0.586647  -0.259389   8.559469  -0.272070
     6  C   -0.163818  -0.268355  -0.158821  -0.111524  -0.272070   6.128524
     7  O    0.057771   0.013487   0.018951  -0.035944   0.054725   0.004017
     8  H    0.279689  -0.477037   0.097270   0.080739  -0.007484   0.085433
     9  H   -0.205748   0.240069   0.073157  -0.036906   0.002844  -0.052491
    10  H   -0.050293  -0.048505  -0.037542  -0.068394   0.049504  -0.030867
    11  H    0.065035   0.133206  -0.193529   0.054515   0.025521   0.063029
    12  H   -0.006837   0.066278   0.070786  -0.080902  -0.169621   0.000348
    13  H   -0.062555  -0.032166  -0.053930  -0.148199   0.353144   0.060000
    14  C    0.031567   0.087046  -0.011013  -0.126004   0.021896  -0.181029
    15  H    0.031467   0.041418   0.092413   0.164676  -1.272500   0.229944
    16  H    0.259813   0.057776   0.049202   0.027331  -0.266300  -0.410341
    17  H   -0.287642   0.034488  -0.041759  -0.003269   0.441814   0.106824
    18  H   -0.081905  -0.010733  -0.040301  -0.043633   0.064994  -0.026508
    19  H    0.011280  -0.011410   0.065080  -0.093141   0.135317   0.018495
    20  H    0.083906   0.025517  -0.033094   0.017829   0.101501  -0.075920
               7          8          9         10         11         12
     1  C    0.057771   0.279689  -0.205748  -0.050293   0.065035  -0.006837
     2  C    0.013487  -0.477037   0.240069  -0.048505   0.133206   0.066278
     3  C    0.018951   0.097270   0.073157  -0.037542  -0.193529   0.070786
     4  C   -0.035944   0.080739  -0.036906  -0.068394   0.054515  -0.080902
     5  C    0.054725  -0.007484   0.002844   0.049504   0.025521  -0.169621
     6  C    0.004017   0.085433  -0.052491  -0.030867   0.063029   0.000348
     7  O    8.515112  -0.057283   0.024706   0.001433  -0.002077   0.001208
     8  H   -0.057283   1.808577  -0.334201  -0.150288   0.011978   0.005088
     9  H    0.024706  -0.334201   1.537023   0.134791  -0.153490   0.015824
    10  H    0.001433  -0.150288   0.134791   2.039124  -0.471687  -0.118186
    11  H   -0.002077   0.011978  -0.153490  -0.471687   1.848256  -0.035917
    12  H    0.001208   0.005088   0.015824  -0.118186  -0.035917   2.049478
    13  H   -0.001129   0.004372  -0.003328   0.098772  -0.084917  -0.542077
    14  C   -0.003660   0.002663  -0.008410  -0.027232   0.007038   0.093633
    15  H    0.003029  -0.007786   0.014887   0.007172   0.012149   0.003854
    16  H   -0.049223   0.006854   0.011429   0.011397  -0.002135  -0.005877
    17  H    0.021607   0.010522  -0.040341  -0.022330   0.010923   0.017340
    18  H    0.023505  -0.004023   0.002071   0.029765   0.006091  -0.022589
    19  H   -0.001792   0.002761  -0.004589  -0.029093   0.010707  -0.006118
    20  H   -0.011222   0.000350   0.002482   0.003360  -0.004126   0.028857
              13         14         15         16         17         18
     1  C   -0.062555   0.031567   0.031467   0.259813  -0.287642  -0.081905
     2  C   -0.032166   0.087046   0.041418   0.057776   0.034488  -0.010733
     3  C   -0.053930  -0.011013   0.092413   0.049202  -0.041759  -0.040301
     4  C   -0.148199  -0.126004   0.164676   0.027331  -0.003269  -0.043633
     5  C    0.353144   0.021896  -1.272500  -0.266300   0.441814   0.064994
     6  C    0.060000  -0.181029   0.229944  -0.410341   0.106824  -0.026508
     7  O   -0.001129  -0.003660   0.003029  -0.049223   0.021607   0.023505
     8  H    0.004372   0.002663  -0.007786   0.006854   0.010522  -0.004023
     9  H   -0.003328  -0.008410   0.014887   0.011429  -0.040341   0.002071
    10  H    0.098772  -0.027232   0.007172   0.011397  -0.022330   0.029765
    11  H   -0.084917   0.007038   0.012149  -0.002135   0.010923   0.006091
    12  H   -0.542077   0.093633   0.003854  -0.005877   0.017340  -0.022589
    13  H    1.947246  -0.066231  -0.104206   0.016436  -0.028303  -0.005053
    14  C   -0.066231   4.577926   0.090492   0.084251  -0.046524   0.364876
    15  H   -0.104206   0.090492   2.293554   0.031850  -0.124178   0.075692
    16  H    0.016436   0.084251   0.031850   2.071279  -0.474472  -0.043527
    17  H   -0.028303  -0.046524  -0.124178  -0.474472   1.675121   0.005525
    18  H   -0.005053   0.364876   0.075692  -0.043527   0.005525   1.581926
    19  H    0.020117   0.093111  -0.053003   0.027164  -0.010312  -0.321192
    20  H   -0.013969   0.121868  -0.062108   0.001859   0.018685  -0.339223
              19         20
     1  C    0.011280   0.083906
     2  C   -0.011410   0.025517
     3  C    0.065080  -0.033094
     4  C   -0.093141   0.017829
     5  C    0.135317   0.101501
     6  C    0.018495  -0.075920
     7  O   -0.001792  -0.011222
     8  H    0.002761   0.000350
     9  H   -0.004589   0.002482
    10  H   -0.029093   0.003360
    11  H    0.010707  -0.004126
    12  H   -0.006118   0.028857
    13  H    0.020117  -0.013969
    14  C    0.093111   0.121868
    15  H   -0.053003  -0.062108
    16  H    0.027164   0.001859
    17  H   -0.010312   0.018685
    18  H   -0.321192  -0.339223
    19  H    1.733906  -0.399118
    20  H   -0.399118   1.734697
 Mulliken charges:
               1
     1  C    0.232852
     2  C    0.758623
     3  C    0.715573
     4  C    1.031042
     5  C   -0.448335
     6  C    1.055129
     7  O   -0.577221
     8  H   -0.358193
     9  H   -0.219779
    10  H   -0.320902
    11  H   -0.300569
    12  H   -0.364571
    13  H   -0.354024
    14  C    0.893735
    15  H   -0.468817
    16  H   -0.404766
    17  H   -0.263718
    18  H   -0.215757
    19  H   -0.188169
    20  H   -0.202132
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.232852
     2  C    0.180650
     3  C    0.094102
     4  C    0.312447
     5  C   -0.917152
     6  C    0.386645
     7  O   -0.577221
    14  C    0.287677
 Electronic spatial extent (au):  <R**2>=            944.4876
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.6905    Y=              1.7078    Z=              1.2720  Tot=              3.4312
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -56.7469   YY=            -50.1194   ZZ=            -49.1793
   XY=              4.6280   XZ=              2.4344   YZ=             -1.2716
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.7317   YY=              1.8958   ZZ=              2.8359
   XY=              4.6280   XZ=              2.4344   YZ=             -1.2716
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.8390  YYY=             -0.5970  ZZZ=              1.2157  XYY=             -1.6886
  XXY=              9.6531  XXZ=              4.6487  XZZ=              2.4805  YZZ=              0.2616
  YYZ=              1.3781  XYZ=             -1.8327
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -638.7484 YYYY=           -447.5970 ZZZZ=           -202.0237 XXXY=             16.0584
 XXXZ=             10.4921 YYYX=              2.2597 YYYZ=             -1.2642 ZZZX=             -3.0512
 ZZZY=              0.6735 XXYY=           -186.1952 XXZZ=           -135.8912 YYZZ=           -112.1688
 XXYZ=             -6.7667 YYXZ=              0.5313 ZZXY=             -0.0323
 N-N= 3.941108108131D+02 E-N=-1.599523981811D+03  KE= 3.469153931605D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 22:23:48 2021, MaxMem= 10737418240 cpu:               4.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.02318643D+00 6.47982688D-01 4.83613985D-01
 Polarizability= 8.63494021D+01-1.04942373D+00 8.45156964D+01
                -1.93893247D+00 2.93358883D-01 7.33527226D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.1764    1.1768       -0.7592   -0.7595
 2     -1.1764   -1.1768       -0.2014   -0.1998       -1.1985   -1.2017
 3      0.7592    0.7595        6.9796    6.9807        0.2013    0.1998
 4      0.2014    0.1998       -0.0000    0.0000        0.7587    0.7595
 5     -5.7811   -5.7790       -0.7587   -0.7595        1.1763    1.1768
 6     -0.2013   -0.1998       -1.1763   -1.1768       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.5304   -3.5304       -2.2785   -2.2785
 2      0.5993    0.5993        0.0000    0.0000       -2.2785   -2.2785
 3      0.5993    0.5993       -3.5304   -3.5304        0.0000    0.0000
 4     -3.5304   -3.5304       -0.5993   -0.5993       -3.6051   -3.6051
 5      2.2785    2.2785       20.9421   20.9421        0.5993    0.5993
 6    -17.3370  -17.3370       -2.2785   -2.2785        3.5304    3.5304
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0465    0.0000       -4.4432   -4.7072        3.3578    3.0380
 2      4.6835    4.7072        0.9521    0.7991        4.5265    4.8068
 3     -3.1394   -3.0380      -28.0816  -27.9228       -0.6338   -0.7991
 4     -0.9960   -0.7991        0.2667    0.0000       -3.0449   -3.0380
 5     23.0068   23.1160        3.0344    3.0380       -4.9529   -4.7072
 6      0.8777    0.7991        4.8283    4.7072        0.0721    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1509    0.0000        7.7240    7.7680        9.0207    8.5025
 2     -7.2055   -7.7680       -5.2327   -5.2137       -1.0838   -1.0600
 3     -8.4059   -8.5025        3.9648    3.7770        5.2746    5.2137
 4      5.6009    5.2137        0.0637    0.0000       -8.3541   -8.5025
 5     -2.7500   -2.7170        8.1961    8.5025        7.8879    7.7680
 6     -5.1847   -5.2137       -7.8219   -7.7680       -0.0259    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.8632    4.7665       10.7855   10.7745      -19.7141  -19.8143
 2     12.3075   12.4586       17.9815   17.9979      -19.6167  -19.8143
 3     12.3633   12.4586       10.7595   10.7745      -27.0181  -26.9684
 4     -6.2418   -7.2234       -7.7183   -7.6921        5.4635    4.9537
 5     -6.9972   -7.1541        3.8528    3.9067        7.5618    7.6921
 6     -9.5109   -8.8604        7.1779    7.1541        6.5671    7.2234
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.1152  -11.0020   -7.4575    0.0002    0.0010    0.0011
 Low frequencies ---   86.3683  126.1967  213.8602
 Diagonal vibrational polarizability:
        7.5773632       4.4543364       9.6209149
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     86.3617               126.1928               213.8600
 Red. masses --      4.6602                 2.6340                 1.1260
 Frc consts  --      0.0205                 0.0247                 0.0303
 IR Inten    --      3.5816                 0.6269                 0.3389
 RamAct Fr= 1--      0.8665                 0.4557                 0.1222
  Dep-P Fr= 1--      0.7060                 0.6486                 0.4645
  Dep-U Fr= 1--      0.8277                 0.7868                 0.6344
 Alpha2 Fr= 1--      0.0007                 0.0008                 0.0007
 Beta2  Fr= 1--      0.1195                 0.0598                 0.0129
 AlphaG Fr= 1--     -0.0002                 0.0001                -0.0023
 Gamma2 Fr= 1--      0.0566                -0.1305                -0.0624
 Delta2 Fr= 1--      0.0358                -0.0213                -0.0082
 Raman1 Fr= 1--       3.466                  1.823                  0.489
 ROA1   Fr= 1--       6.579                -13.204                 -6.253
 CID1   Fr= 1--       1.898                 -7.244                -12.796
 Raman2 Fr= 1--       1.434                  0.717                  0.155
 ROA2   Fr= 1--       1.071                 -2.961                 -1.432
 CID2   Fr= 1--       0.747                 -4.129                 -9.238
 Raman3 Fr= 1--       2.869                  1.434                  0.310
 ROA3   Fr= 1--       6.579                -13.204                 -6.253
 CID3   Fr= 1--       2.293                 -9.206                -20.171
 RC180  Fr= 1--       0.655                  0.574                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.04    -0.04  -0.03  -0.02     0.01  -0.01  -0.01
     2   6    -0.04  -0.03  -0.17    -0.04  -0.04  -0.19     0.02  -0.01  -0.02
     3   6    -0.07  -0.02  -0.02    -0.10   0.04   0.05     0.02   0.04   0.04
     4   6     0.02  -0.00   0.09    -0.02  -0.01   0.11    -0.02  -0.00  -0.03
     5   6    -0.03  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00  -0.02
     6   6    -0.01  -0.09  -0.16    -0.01   0.04   0.08    -0.00   0.03  -0.00
     7   8     0.27   0.04   0.26    -0.04  -0.09   0.05     0.01  -0.03   0.02
     8   1    -0.09  -0.07  -0.25    -0.15  -0.15  -0.36    -0.00  -0.02  -0.05
     9   1     0.08   0.02  -0.21     0.19   0.04  -0.27     0.09  -0.02  -0.02
    10   1    -0.19  -0.02  -0.01    -0.25   0.15   0.04     0.01   0.15   0.02
    11   1    -0.05  -0.02  -0.02    -0.05   0.04   0.17     0.03   0.04   0.14
    12   1    -0.02   0.06   0.24    -0.05   0.01   0.20    -0.00  -0.01  -0.09
    13   1     0.17  -0.05   0.10     0.05  -0.08   0.13    -0.10  -0.01  -0.02
    14   6    -0.21   0.09  -0.00     0.20   0.09  -0.09    -0.02  -0.03   0.00
    15   1     0.03  -0.02   0.05    -0.04  -0.09  -0.10     0.01  -0.01  -0.00
    16   1    -0.02  -0.08  -0.30     0.01   0.04   0.19     0.00   0.03   0.06
    17   1     0.06  -0.24  -0.12    -0.02   0.16   0.05    -0.01   0.09  -0.02
    18   1    -0.27   0.09  -0.06     0.30   0.14   0.03    -0.34   0.39  -0.15
    19   1    -0.22   0.18   0.11     0.24   0.11  -0.21    -0.25  -0.45   0.28
    20   1    -0.28   0.09  -0.06     0.20   0.08  -0.17     0.50  -0.04  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.5604               345.1455               364.4974
 Red. masses --      1.8583                 2.6156                 2.0499
 Frc consts  --      0.0761                 0.1836                 0.1605
 IR Inten    --      0.1709                 0.5992                 0.3745
 RamAct Fr= 1--      0.6002                 0.6944                 0.5938
  Dep-P Fr= 1--      0.2707                 0.6795                 0.6758
  Dep-U Fr= 1--      0.4261                 0.8092                 0.8066
 Alpha2 Fr= 1--      0.0067                 0.0009                 0.0008
 Beta2  Fr= 1--      0.0426                 0.0936                 0.0798
 AlphaG Fr= 1--      0.0041                -0.0020                -0.0025
 Gamma2 Fr= 1--      0.0662                -0.1683                 0.1787
 Delta2 Fr= 1--     -0.0010                -0.0991                -0.0092
 Raman1 Fr= 1--       2.401                  2.778                  2.375
 ROA1   Fr= 1--       6.322                -19.331                 16.863
 CID1   Fr= 1--       2.633                 -6.959                  7.099
 Raman2 Fr= 1--       0.512                  1.124                  0.958
 ROA2   Fr= 1--       1.597                 -3.247                  4.363
 CID2   Fr= 1--       3.122                 -2.890                  4.555
 Raman3 Fr= 1--       1.023                  2.248                  1.916
 ROA3   Fr= 1--       6.322                -19.331                 16.863
 CID3   Fr= 1--       6.180                 -8.601                  8.802
 RC180  Fr= 1--      -0.148                  0.618                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.05    -0.03  -0.10  -0.09    -0.08   0.04   0.03
     2   6    -0.04  -0.00   0.04    -0.11  -0.09   0.03     0.00   0.04  -0.02
     3   6    -0.03  -0.14  -0.13    -0.04   0.05  -0.02     0.03   0.05  -0.04
     4   6     0.03  -0.00   0.04    -0.09   0.11  -0.05     0.13   0.05   0.08
     5   6     0.02  -0.00   0.04    -0.00   0.10   0.10    -0.03   0.02  -0.03
     6   6     0.01  -0.03   0.04    -0.01  -0.09  -0.07    -0.08  -0.08  -0.06
     7   8    -0.03   0.02  -0.02     0.09  -0.01  -0.01    -0.07   0.05   0.03
     8   1     0.02   0.02   0.12    -0.02   0.03   0.19     0.04  -0.07  -0.04
     9   1    -0.21   0.05   0.05    -0.22  -0.25   0.13     0.01   0.10  -0.05
    10   1     0.00  -0.40  -0.06    -0.04   0.12  -0.04    -0.02  -0.01  -0.02
    11   1    -0.07  -0.14  -0.39     0.07   0.06   0.03     0.02   0.05  -0.09
    12   1    -0.00   0.00   0.15    -0.08  -0.03  -0.19     0.08   0.22   0.36
    13   1     0.19   0.05   0.01    -0.23   0.25  -0.10     0.42  -0.09   0.11
    14   6     0.03   0.15  -0.03     0.15   0.03   0.11     0.07  -0.13   0.01
    15   1     0.00  -0.04   0.00    -0.01   0.12   0.10    -0.08   0.08  -0.05
    16   1     0.01  -0.03  -0.01    -0.19  -0.11  -0.26    -0.08  -0.07  -0.31
    17   1     0.01  -0.08   0.05     0.21  -0.29  -0.04    -0.07  -0.31   0.00
    18   1    -0.13   0.48  -0.06     0.21   0.09   0.19     0.05  -0.11   0.00
    19   1    -0.08  -0.02   0.14     0.15  -0.11  -0.03     0.02  -0.37  -0.07
    20   1     0.31   0.13  -0.25     0.29   0.04   0.16     0.28  -0.12   0.17
                      7                      8                      9
                      A                      A                      A
 Frequencies --    429.2549               465.2393               495.8876
 Red. masses --      2.3132                 2.0027                 3.8020
 Frc consts  --      0.2511                 0.2554                 0.5508
 IR Inten    --      1.0580                 1.6239                 9.7984
 RamAct Fr= 1--      0.9764                 0.5092                 1.0239
  Dep-P Fr= 1--      0.6554                 0.6162                 0.7320
  Dep-U Fr= 1--      0.7918                 0.7625                 0.8453
 Alpha2 Fr= 1--      0.0017                 0.0012                 0.0003
 Beta2  Fr= 1--      0.1289                 0.0647                 0.1443
 AlphaG Fr= 1--     -0.0033                 0.0080                -0.0062
 Gamma2 Fr= 1--     -0.5145                 0.3228                 0.1120
 Delta2 Fr= 1--      0.0463                -0.0054                 0.0490
 Raman1 Fr= 1--       3.906                  2.037                  4.096
 ROA1   Fr= 1--     -47.906                 30.817                 12.316
 CID1   Fr= 1--     -12.266                 15.130                  3.007
 Raman2 Fr= 1--       1.546                  0.777                  1.731
 ROA2   Fr= 1--     -12.718                  7.790                  2.295
 CID2   Fr= 1--      -8.225                 10.032                  1.326
 Raman3 Fr= 1--       3.092                  1.553                  3.462
 ROA3   Fr= 1--     -47.906                 30.817                 12.316
 CID3   Fr= 1--     -15.491                 19.843                  3.557
 RC180  Fr= 1--       0.584                  0.525                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.11     0.03   0.07   0.02    -0.04  -0.10   0.05
     2   6     0.01  -0.02   0.07     0.14   0.05  -0.03     0.01  -0.18  -0.04
     3   6    -0.02  -0.10   0.04     0.04  -0.12   0.08     0.08  -0.06   0.03
     4   6    -0.04   0.06   0.12    -0.10  -0.01   0.01     0.01   0.04  -0.00
     5   6    -0.08   0.06  -0.05    -0.10   0.01   0.06    -0.11   0.02  -0.01
     6   6    -0.04   0.16  -0.07    -0.05   0.01  -0.09    -0.11  -0.05   0.15
     7   8     0.09  -0.06  -0.01    -0.03   0.01  -0.01     0.13   0.27  -0.12
     8   1     0.02   0.21   0.20    -0.03  -0.08  -0.30    -0.04  -0.44  -0.22
     9   1    -0.13  -0.18   0.17     0.39   0.21  -0.16     0.25  -0.05  -0.15
    10   1    -0.04  -0.32   0.10     0.07  -0.30   0.12     0.04  -0.02   0.03
    11   1     0.00  -0.09  -0.20    -0.02  -0.12  -0.13     0.19  -0.05   0.05
    12   1    -0.04   0.23   0.25    -0.01  -0.02  -0.26     0.05   0.14  -0.03
    13   1     0.14  -0.07   0.15    -0.33   0.08  -0.00     0.01   0.01   0.01
    14   6     0.02  -0.06  -0.03     0.04   0.02   0.03    -0.02  -0.02  -0.02
    15   1    -0.03  -0.02  -0.04    -0.06  -0.06   0.06    -0.18   0.07  -0.05
    16   1    -0.07   0.15   0.22    -0.04   0.02  -0.34    -0.21  -0.07   0.44
    17   1    -0.01   0.43  -0.16     0.01  -0.24  -0.01    -0.15   0.23   0.07
    18   1     0.06  -0.13  -0.01     0.13   0.08   0.14     0.01   0.01   0.02
    19   1     0.01  -0.20  -0.15     0.07  -0.04  -0.10    -0.01  -0.08  -0.09
    20   1     0.10  -0.05   0.13     0.12   0.02   0.01     0.04  -0.01  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    558.5884               678.9745               750.2405
 Red. masses --      3.0234                 2.8180                 2.4778
 Frc consts  --      0.5558                 0.7654                 0.8217
 IR Inten    --      1.5593                 1.9343                 3.9991
 RamAct Fr= 1--      1.6359                10.1575                12.4212
  Dep-P Fr= 1--      0.1258                 0.0288                 0.0529
  Dep-U Fr= 1--      0.2235                 0.0559                 0.1004
 Alpha2 Fr= 1--      0.0269                 0.2110                 0.2437
 Beta2  Fr= 1--      0.0609                 0.0947                 0.2078
 AlphaG Fr= 1--      0.0339                -0.0888                 0.0961
 Gamma2 Fr= 1--     -0.1055                 0.4648                -0.0121
 Delta2 Fr= 1--      0.1970                 0.1456                -0.7112
 Raman1 Fr= 1--       6.543                 40.630                 49.685
 ROA1   Fr= 1--      -3.826                 49.281                -23.922
 CID1   Fr= 1--      -0.585                  1.213                 -0.481
 Raman2 Fr= 1--       0.731                  1.136                  2.494
 ROA2   Fr= 1--      -4.108                  9.991                  5.399
 CID2   Fr= 1--      -5.618                  8.792                  2.165
 Raman3 Fr= 1--       1.462                  2.273                  4.988
 ROA3   Fr= 1--      -3.826                 49.281                -23.922
 CID3   Fr= 1--      -2.616                 21.683                 -4.796
 RC180  Fr= 1--      -0.553                 -0.888                 -0.799
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.04   0.18     0.22  -0.01   0.10    -0.04  -0.06  -0.10
     2   6    -0.05  -0.03   0.02     0.05   0.09  -0.01     0.03   0.16   0.01
     3   6    -0.10   0.00   0.04    -0.06   0.05  -0.09     0.01   0.14  -0.01
     4   6    -0.10   0.14   0.05    -0.03  -0.03  -0.03    -0.01   0.10   0.05
     5   6     0.12   0.14  -0.14    -0.18  -0.03   0.05    -0.03  -0.08   0.06
     6   6     0.08  -0.05   0.04    -0.06  -0.02   0.07     0.01  -0.15   0.10
     7   8     0.00  -0.05  -0.07     0.09  -0.08  -0.10     0.05  -0.04   0.00
     8   1    -0.18  -0.13  -0.19     0.06   0.22   0.07     0.02   0.11  -0.04
     9   1     0.11   0.22  -0.12    -0.17   0.21  -0.02     0.19   0.07   0.02
    10   1    -0.16  -0.21   0.10    -0.05   0.38  -0.17     0.06  -0.37   0.12
    11   1     0.04   0.02  -0.21    -0.07   0.04   0.27    -0.14   0.15  -0.54
    12   1    -0.12   0.05   0.02    -0.08   0.16   0.24     0.02  -0.03  -0.14
    13   1    -0.17   0.08   0.08     0.27  -0.07  -0.04    -0.24   0.16   0.05
    14   6    -0.03  -0.05  -0.07    -0.03  -0.01   0.01    -0.03  -0.05  -0.07
    15   1     0.13   0.04  -0.17    -0.18   0.02   0.08    -0.12  -0.02  -0.00
    16   1    -0.08  -0.06  -0.16    -0.11  -0.03  -0.03     0.05  -0.16   0.32
    17   1    -0.10  -0.27   0.14    -0.16  -0.18   0.13     0.10   0.09   0.01
    18   1    -0.19  -0.28  -0.29     0.14   0.16   0.22    -0.00   0.03  -0.02
    19   1    -0.10  -0.13   0.08     0.03  -0.05  -0.21    -0.01  -0.02  -0.09
    20   1    -0.06  -0.02   0.23     0.07  -0.02  -0.12    -0.03  -0.06  -0.20
                     13                     14                     15
                      A                      A                      A
 Frequencies --    789.9725               828.1998               880.9450
 Red. masses --      2.3025                 1.7943                 2.3549
 Frc consts  --      0.8466                 0.7251                 1.0768
 IR Inten    --      2.8254                 1.1431                 1.8895
 RamAct Fr= 1--      2.8820                 0.6856                 3.4714
  Dep-P Fr= 1--      0.0821                 0.6181                 0.4038
  Dep-U Fr= 1--      0.1517                 0.7640                 0.5752
 Alpha2 Fr= 1--      0.0527                 0.0017                 0.0254
 Beta2  Fr= 1--      0.0729                 0.0873                 0.3328
 AlphaG Fr= 1--      0.0923                -0.0079                -0.0537
 Gamma2 Fr= 1--      0.5233                 0.2070                -1.4124
 Delta2 Fr= 1--      0.2814                 0.2327                -0.8906
 Raman1 Fr= 1--      11.528                  2.742                 13.886
 ROA1   Fr= 1--      59.241                 27.322               -164.086
 CID1   Fr= 1--       5.139                  9.963                -11.817
 Raman2 Fr= 1--       0.874                  1.048                  3.994
 ROA2   Fr= 1--      10.307                  3.107                -26.773
 CID2   Fr= 1--      11.789                  2.966                 -6.703
 Raman3 Fr= 1--       1.749                  2.095                  7.988
 ROA3   Fr= 1--      59.241                 27.322               -164.086
 CID3   Fr= 1--      33.877                 13.041                -20.542
 RC180  Fr= 1--      -0.697                  0.528                  0.150
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.09  -0.00     0.02   0.03  -0.07    -0.01  -0.01   0.02
     2   6     0.02  -0.11  -0.07     0.01   0.05  -0.11     0.18  -0.04  -0.03
     3   6     0.06  -0.01  -0.03     0.01  -0.06   0.06    -0.01   0.10  -0.12
     4   6    -0.07   0.11   0.07     0.08  -0.05   0.03    -0.15  -0.04   0.10
     5   6    -0.06  -0.06   0.08     0.02   0.06  -0.02     0.07  -0.05  -0.03
     6   6     0.13   0.05   0.07    -0.09  -0.01   0.14    -0.10   0.02  -0.02
     7   8    -0.04   0.03   0.03     0.03  -0.00  -0.01     0.00   0.03  -0.01
     8   1     0.18   0.04   0.19     0.09   0.39   0.16     0.47  -0.12   0.24
     9   1    -0.26  -0.29   0.07    -0.28  -0.21   0.07    -0.09  -0.13   0.07
    10   1    -0.09   0.10  -0.04    -0.16  -0.05   0.08    -0.11   0.04  -0.09
    11   1     0.32   0.00   0.06    -0.08  -0.07   0.10     0.06   0.11  -0.17
    12   1    -0.02   0.19  -0.02     0.17  -0.11  -0.27    -0.22  -0.20   0.18
    13   1    -0.09   0.18   0.04    -0.22   0.01   0.03    -0.14  -0.09   0.12
    14   6    -0.05  -0.08  -0.12     0.01   0.02  -0.02     0.06   0.02   0.06
    15   1    -0.01  -0.16   0.07    -0.18   0.10  -0.19     0.08  -0.28  -0.12
    16   1     0.30   0.08  -0.28    -0.16  -0.01  -0.15    -0.17   0.01  -0.01
    17   1     0.19  -0.26   0.15    -0.10  -0.30   0.22    -0.21  -0.00  -0.00
    18   1     0.00   0.02  -0.04    -0.11  -0.15  -0.19    -0.10  -0.07  -0.12
    19   1    -0.02  -0.04  -0.18    -0.05  -0.05   0.11    -0.00   0.12   0.31
    20   1    -0.05  -0.09  -0.26    -0.02   0.04   0.20    -0.09   0.03   0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.6595               958.3398               977.1135
 Red. masses --      1.5218                 1.7974                 2.2628
 Frc consts  --      0.7306                 0.9726                 1.2729
 IR Inten    --      1.8227                 0.6385                 1.5698
 RamAct Fr= 1--      0.6572                 3.8484                 4.2902
  Dep-P Fr= 1--      0.3553                 0.3254                 0.5725
  Dep-U Fr= 1--      0.5243                 0.4911                 0.7281
 Alpha2 Fr= 1--      0.0057                 0.0365                 0.0144
 Beta2  Fr= 1--      0.0574                 0.3150                 0.5206
 AlphaG Fr= 1--      0.0083                -0.0741                -0.0861
 Gamma2 Fr= 1--      0.1038                 1.7776                 1.1477
 Delta2 Fr= 1--      0.5362                 1.3081                -0.4422
 Raman1 Fr= 1--       2.629                 15.394                 17.161
 ROA1   Fr= 1--      27.127                212.506                 96.027
 CID1   Fr= 1--      10.318                 13.805                  5.596
 Raman2 Fr= 1--       0.689                  3.780                  6.248
 ROA2   Fr= 1--      -1.798                 32.197                 31.082
 CID2   Fr= 1--      -2.609                  8.519                  4.975
 Raman3 Fr= 1--       1.378                  7.559                 12.495
 ROA3   Fr= 1--      27.127                212.506                 96.027
 CID3   Fr= 1--      19.681                 28.112                  7.685
 RC180  Fr= 1--       0.049                 -0.018                  0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.09    -0.06  -0.01  -0.03    -0.02  -0.06   0.01
     2   6     0.03   0.00   0.05     0.10   0.04   0.02     0.04  -0.00   0.07
     3   6    -0.02  -0.00   0.02    -0.03  -0.06  -0.05    -0.07   0.01  -0.05
     4   6    -0.09  -0.02  -0.09    -0.05  -0.04   0.02     0.08  -0.05   0.05
     5   6     0.00   0.03  -0.01    -0.05   0.09   0.00     0.07   0.08   0.15
     6   6     0.02   0.04   0.11     0.11  -0.10   0.02    -0.07   0.11  -0.01
     7   8     0.02  -0.00   0.01    -0.02   0.02   0.03     0.02   0.00  -0.01
     8   1    -0.11  -0.00  -0.11     0.17  -0.07   0.05     0.08  -0.24  -0.01
     9   1     0.33  -0.15   0.05     0.03   0.10   0.01     0.11   0.16  -0.02
    10   1     0.29  -0.05  -0.02    -0.01   0.21  -0.12    -0.07   0.11  -0.08
    11   1    -0.10  -0.01  -0.05    -0.15  -0.08   0.27    -0.24  -0.01   0.12
    12   1    -0.18   0.18   0.35    -0.08  -0.07   0.07     0.03  -0.34  -0.07
    13   1     0.36  -0.20  -0.06     0.05   0.11  -0.05    -0.05   0.27  -0.06
    14   6     0.03  -0.01  -0.00    -0.03   0.08  -0.05    -0.03  -0.09  -0.15
    15   1    -0.09   0.04  -0.09    -0.10  -0.01  -0.10     0.12   0.09   0.21
    16   1    -0.09   0.03  -0.24     0.19  -0.10   0.20    -0.42   0.08  -0.16
    17   1     0.24  -0.28   0.18     0.25   0.14  -0.07     0.30  -0.08   0.00
    18   1    -0.10  -0.01  -0.12     0.02  -0.24  -0.11    -0.05  -0.03  -0.15
    19   1    -0.00   0.11   0.19    -0.09  -0.31  -0.24    -0.02  -0.03  -0.13
    20   1    -0.10  -0.01  -0.06     0.14   0.12   0.48    -0.05  -0.09  -0.25
                     19                     20                     21
                      A                      A                      A
 Frequencies --    982.4575              1039.0991              1066.6877
 Red. masses --      1.5626                 1.9243                 1.4816
 Frc consts  --      0.8887                 1.2242                 0.9932
 IR Inten    --      1.2206                 0.8051                 4.2558
 RamAct Fr= 1--      3.6348                 2.2547                 4.1530
  Dep-P Fr= 1--      0.6910                 0.6691                 0.6447
  Dep-U Fr= 1--      0.8173                 0.8017                 0.7840
 Alpha2 Fr= 1--      0.0038                 0.0032                 0.0079
 Beta2  Fr= 1--      0.4951                 0.3013                 0.5426
 AlphaG Fr= 1--     -0.0140                 0.0120                -0.0282
 Gamma2 Fr= 1--     -1.3217                -1.5386                 0.5136
 Delta2 Fr= 1--     -0.6533                -0.7487                 0.0635
 Raman1 Fr= 1--      14.539                  9.019                 16.612
 ROA1   Fr= 1--    -147.785               -171.660                 51.335
 CID1   Fr= 1--     -10.165                -19.034                  3.090
 Raman2 Fr= 1--       5.941                  3.615                  6.512
 ROA2   Fr= 1--     -26.494                -30.936                 11.817
 CID2   Fr= 1--      -4.459                 -8.557                  1.815
 Raman3 Fr= 1--      11.882                  7.231                 13.023
 ROA3   Fr= 1--    -147.785               -171.660                 51.335
 CID3   Fr= 1--     -12.437                -23.741                  3.942
 RC180  Fr= 1--       0.635                  0.603                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.03  -0.01   0.01    -0.01   0.02  -0.03
     2   6     0.02  -0.07  -0.01     0.15   0.00  -0.03    -0.00   0.03  -0.04
     3   6    -0.05   0.11   0.02    -0.13  -0.08   0.06     0.06  -0.04   0.01
     4   6     0.04  -0.09  -0.02     0.00   0.08  -0.07    -0.08  -0.00   0.01
     5   6    -0.03   0.04  -0.04     0.05   0.04  -0.05     0.13   0.04   0.01
     6   6     0.06   0.04   0.02     0.02  -0.07  -0.01    -0.04  -0.04   0.02
     7   8    -0.00   0.01  -0.00    -0.03   0.03   0.02    -0.01   0.01   0.01
     8   1     0.15  -0.14   0.09     0.27   0.07   0.14    -0.12   0.29  -0.05
     9   1     0.10  -0.32   0.08    -0.10  -0.07   0.05     0.02  -0.12   0.02
    10   1    -0.05  -0.26   0.11    -0.37  -0.01   0.08     0.25   0.06  -0.05
    11   1    -0.20   0.11  -0.34    -0.26  -0.09   0.15     0.22  -0.03   0.04
    12   1     0.00  -0.21  -0.00     0.03   0.26  -0.01    -0.20  -0.19   0.21
    13   1    -0.09  -0.26   0.06     0.07  -0.07  -0.02     0.09   0.04  -0.02
    14   6    -0.07   0.03   0.02     0.00  -0.07   0.04    -0.08  -0.01  -0.02
    15   1     0.01   0.25   0.10     0.08   0.32   0.11     0.35   0.06   0.24
    16   1     0.14   0.06  -0.13    -0.03  -0.08   0.16    -0.20  -0.07   0.11
    17   1    -0.07  -0.10   0.08     0.02   0.10  -0.07    -0.33  -0.01   0.05
    18   1     0.16   0.08   0.25     0.03   0.23   0.16     0.14   0.07   0.20
    19   1     0.00  -0.15  -0.35     0.08   0.20   0.05     0.01  -0.12  -0.36
    20   1     0.18   0.03   0.05    -0.06  -0.10  -0.41     0.15  -0.01  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1077.9072              1127.5831              1148.2491
 Red. masses --      1.5424                 1.2484                 2.1498
 Frc consts  --      1.0558                 0.9352                 1.6700
 IR Inten    --      5.6606                17.5679                 0.6188
 RamAct Fr= 1--      0.6304                 2.8892                 2.6164
  Dep-P Fr= 1--      0.4738                 0.6984                 0.7260
  Dep-U Fr= 1--      0.6430                 0.8224                 0.8413
 Alpha2 Fr= 1--      0.0035                 0.0026                 0.0011
 Beta2  Fr= 1--      0.0676                 0.3960                 0.3669
 AlphaG Fr= 1--      0.0273                 0.0234                -0.0015
 Gamma2 Fr= 1--     -0.2825                 0.3664                -0.2170
 Delta2 Fr= 1--     -0.1879                 0.2599                -0.0501
 Raman1 Fr= 1--       2.522                 11.557                 10.466
 ROA1   Fr= 1--     -33.138                 43.491                -22.440
 CID1   Fr= 1--     -13.142                  3.763                 -2.144
 Raman2 Fr= 1--       0.811                  4.752                  4.402
 ROA2   Fr= 1--      -5.277                  6.715                 -4.808
 CID2   Fr= 1--      -6.510                  1.413                 -1.092
 Raman3 Fr= 1--       1.621                  9.505                  8.805
 ROA3   Fr= 1--     -33.138                 43.491                -22.440
 CID3   Fr= 1--     -20.439                  4.576                 -2.549
 RC180  Fr= 1--       0.286                  0.645                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.02     0.04   0.08  -0.03     0.07   0.01   0.13
     2   6     0.04  -0.06   0.04     0.02  -0.05   0.04    -0.02  -0.02  -0.13
     3   6    -0.12  -0.01   0.00    -0.03  -0.00  -0.02     0.03   0.05   0.08
     4   6     0.06   0.08  -0.02     0.01  -0.01   0.02    -0.03  -0.05  -0.07
     5   6     0.02  -0.08   0.03    -0.01   0.04   0.01    -0.03   0.05   0.14
     6   6    -0.05  -0.01  -0.01    -0.04  -0.04  -0.01    -0.01  -0.05  -0.10
     7   8     0.00  -0.00  -0.00    -0.01  -0.01   0.01    -0.05   0.02  -0.00
     8   1    -0.09   0.04  -0.06    -0.13   0.06  -0.08     0.04   0.28   0.09
     9   1     0.33  -0.36   0.11     0.03   0.08  -0.02    -0.06  -0.39   0.05
    10   1     0.08   0.03  -0.04    -0.06   0.03  -0.03     0.25  -0.18   0.11
    11   1    -0.21  -0.01   0.06     0.45   0.03  -0.03    -0.14   0.05  -0.17
    12   1     0.01  -0.08  -0.02    -0.17  -0.44   0.14    -0.09  -0.00   0.17
    13   1     0.16   0.48  -0.18    -0.08  -0.07   0.05     0.19  -0.01  -0.09
    14   6     0.01   0.03  -0.01     0.02  -0.03  -0.00     0.06   0.00  -0.08
    15   1    -0.03  -0.13  -0.04    -0.36   0.48  -0.11    -0.07   0.07   0.11
    16   1     0.27   0.03  -0.00     0.23  -0.01   0.07    -0.12  -0.07   0.24
    17   1    -0.45  -0.01   0.04     0.09   0.09  -0.06     0.23   0.21  -0.19
    18   1    -0.01  -0.10  -0.06    -0.05   0.05  -0.04    -0.13  -0.15  -0.30
    19   1    -0.03  -0.07   0.01     0.02   0.08   0.09    -0.04  -0.02   0.17
    20   1     0.02   0.03   0.14    -0.06  -0.04  -0.12    -0.11   0.01   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1199.4517              1246.9655              1249.8704
 Red. masses --      1.7195                 1.7890                 1.2696
 Frc consts  --      1.4575                 1.6390                 1.1686
 IR Inten    --      2.9749                23.0858                 7.0828
 RamAct Fr= 1--      2.5413                 2.6355                 8.3092
  Dep-P Fr= 1--      0.7350                 0.6567                 0.6103
  Dep-U Fr= 1--      0.8472                 0.7928                 0.7580
 Alpha2 Fr= 1--      0.0007                 0.0044                 0.0214
 Beta2  Fr= 1--      0.3588                 0.3482                 1.0498
 AlphaG Fr= 1--      0.0084                 0.0215                 0.0279
 Gamma2 Fr= 1--      2.9286                -0.7127                 2.1907
 Delta2 Fr= 1--      0.6465                -0.4945                -0.2915
 Raman1 Fr= 1--      10.165                 10.542                 33.237
 ROA1   Fr= 1--     301.834                -84.246                200.983
 CID1   Fr= 1--      29.693                 -7.991                  6.047
 Raman2 Fr= 1--       4.306                  4.179                 12.597
 ROA2   Fr= 1--      65.115                -13.150                 54.909
 CID2   Fr= 1--      15.121                 -3.147                  4.359
 Raman3 Fr= 1--       8.612                  8.358                 25.194
 ROA3   Fr= 1--     301.834                -84.246                200.983
 CID3   Fr= 1--      35.047                -10.080                  7.977
 RC180  Fr= 1--       0.694                  0.586                  0.516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.03     0.08   0.18  -0.09     0.05   0.05   0.03
     2   6    -0.05   0.04  -0.03    -0.06  -0.02   0.04     0.01  -0.02   0.01
     3   6     0.06  -0.02  -0.07     0.01   0.01  -0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.03   0.12    -0.02  -0.04   0.01     0.03   0.01   0.03
     5   6    -0.06   0.11  -0.07     0.00   0.04   0.06     0.01  -0.03  -0.07
     6   6     0.06  -0.02  -0.02     0.03  -0.07   0.00    -0.00  -0.01   0.01
     7   8    -0.00  -0.00  -0.00    -0.01  -0.03   0.01    -0.04   0.02   0.02
     8   1     0.01  -0.04   0.01     0.16  -0.49   0.04    -0.16   0.22  -0.06
     9   1     0.21  -0.31   0.07     0.14  -0.07   0.02     0.23  -0.27   0.07
    10   1     0.42   0.13  -0.16    -0.11   0.01  -0.02     0.01   0.06  -0.07
    11   1    -0.43  -0.06   0.15     0.01   0.00   0.02     0.11   0.01  -0.00
    12   1     0.02  -0.12  -0.06     0.15   0.37  -0.13     0.08   0.01  -0.11
    13   1    -0.14   0.20   0.04    -0.09  -0.25   0.09    -0.05   0.04   0.02
    14   6     0.03  -0.08   0.04     0.02   0.00  -0.03    -0.04   0.00   0.04
    15   1    -0.08   0.10  -0.10     0.09   0.04   0.15    -0.06  -0.25  -0.23
    16   1     0.11  -0.01   0.01    -0.41  -0.13   0.22    -0.48  -0.07   0.11
    17   1    -0.20   0.03   0.00    -0.28   0.02   0.02     0.54   0.03  -0.07
    18   1    -0.06   0.19   0.04    -0.05  -0.06  -0.11     0.08   0.06   0.17
    19   1     0.08   0.21   0.14    -0.01  -0.02   0.03     0.01   0.00  -0.08
    20   1    -0.11  -0.09  -0.25    -0.04  -0.00  -0.02     0.07  -0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1279.4185              1309.6035              1341.5270
 Red. masses --      1.3875                 1.4698                 1.4927
 Frc consts  --      1.3382                 1.4853                 1.5828
 IR Inten    --      4.3570                 3.4092                12.5371
 RamAct Fr= 1--      3.6979                 4.4526                 3.6477
  Dep-P Fr= 1--      0.6370                 0.7412                 0.7272
  Dep-U Fr= 1--      0.7782                 0.8514                 0.8421
 Alpha2 Fr= 1--      0.0076                 0.0007                 0.0014
 Beta2  Fr= 1--      0.4796                 0.6318                 0.5119
 AlphaG Fr= 1--      0.0354                -0.0019                -0.0051
 Gamma2 Fr= 1--     -3.4094                 0.2588                -0.9728
 Delta2 Fr= 1--     -0.6679                 0.7695                -0.3939
 Raman1 Fr= 1--      14.792                 17.810                 14.591
 ROA1   Fr= 1--    -348.671                 49.466               -105.991
 CID1   Fr= 1--     -23.572                  2.777                 -7.264
 Raman2 Fr= 1--       5.756                  7.582                  6.143
 ROA2   Fr= 1--     -76.482                  0.054                -20.195
 CID2   Fr= 1--     -13.288                  0.007                 -3.287
 Raman3 Fr= 1--      11.511                 15.164                 12.286
 ROA3   Fr= 1--    -348.671                 49.466               -105.991
 CID3   Fr= 1--     -30.290                  3.262                 -8.627
 RC180  Fr= 1--       0.556                  0.703                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.07   0.02     0.02  -0.01   0.04    -0.01  -0.05   0.04
     2   6     0.05  -0.00   0.04    -0.03   0.02   0.01    -0.08   0.15  -0.02
     3   6    -0.02   0.01  -0.07     0.03  -0.03  -0.07     0.04  -0.06   0.01
     4   6     0.03  -0.02   0.00    -0.04   0.04   0.02     0.00   0.04  -0.03
     5   6    -0.08   0.04   0.03     0.09  -0.04   0.03    -0.02  -0.04  -0.00
     6   6     0.06   0.00  -0.01    -0.13  -0.00   0.00     0.03   0.03  -0.02
     7   8    -0.01   0.02   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   1    -0.32   0.45  -0.14    -0.04   0.01  -0.01     0.27  -0.28   0.14
     9   1     0.24  -0.15   0.07     0.22  -0.22   0.06     0.38  -0.40   0.13
    10   1    -0.28   0.08  -0.06    -0.01   0.12  -0.10    -0.47   0.03   0.06
    11   1     0.24   0.02  -0.03    -0.21  -0.05   0.09     0.28  -0.04   0.04
    12   1     0.10   0.08  -0.10     0.09   0.30  -0.10    -0.15  -0.28   0.11
    13   1    -0.15  -0.25   0.10    -0.19  -0.40   0.20     0.10   0.04  -0.05
    14   6     0.05   0.00  -0.03    -0.02   0.02  -0.02     0.00   0.01   0.00
    15   1     0.24  -0.04   0.30     0.02   0.25   0.10    -0.10   0.07  -0.03
    16   1    -0.03  -0.01  -0.01     0.47   0.07  -0.03    -0.10   0.02  -0.02
    17   1    -0.28  -0.02   0.04     0.30   0.02  -0.05    -0.02  -0.03   0.01
    18   1    -0.08  -0.04  -0.15     0.05  -0.08  -0.00     0.01  -0.03  -0.00
    19   1    -0.01   0.00   0.12    -0.03  -0.06  -0.05    -0.02  -0.04   0.01
    20   1    -0.10   0.01   0.03     0.08   0.03   0.06    -0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1360.5266              1373.9865              1382.6947
 Red. masses --      1.5157                 1.3965                 1.4384
 Frc consts  --      1.6531                 1.5533                 1.6203
 IR Inten    --      5.5469                 0.9055                 2.5925
 RamAct Fr= 1--      3.7835                 0.7916                 1.3393
  Dep-P Fr= 1--      0.6968                 0.7188                 0.7421
  Dep-U Fr= 1--      0.8213                 0.8364                 0.8519
 Alpha2 Fr= 1--      0.0035                 0.0004                 0.0002
 Beta2  Fr= 1--      0.5179                 0.1103                 0.1902
 AlphaG Fr= 1--     -0.0031                 0.0013                 0.0029
 Gamma2 Fr= 1--     -0.7395                 0.8804                 0.7312
 Delta2 Fr= 1--     -0.1146                 0.8625                 0.0780
 Raman1 Fr= 1--      15.134                  3.166                  5.357
 ROA1   Fr= 1--     -74.659                112.117                 72.695
 CID1   Fr= 1--      -4.933                 35.410                 13.570
 Raman2 Fr= 1--       6.215                  1.324                  2.282
 ROA2   Fr= 1--     -16.831                 14.229                 16.925
 CID2   Fr= 1--      -2.708                 10.746                  7.417
 Raman3 Fr= 1--      12.430                  2.648                  4.564
 ROA3   Fr= 1--     -74.659                112.117                 72.695
 CID3   Fr= 1--      -6.007                 42.338                 15.929
 RC180  Fr= 1--       0.643                  0.673                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.01    -0.00  -0.00   0.01     0.03   0.06  -0.02
     2   6     0.01   0.02  -0.03    -0.01   0.05  -0.02    -0.01  -0.01  -0.00
     3   6    -0.08  -0.04   0.01    -0.10   0.01   0.03     0.02  -0.02   0.01
     4   6     0.03   0.07   0.03    -0.01  -0.10   0.03     0.06   0.09  -0.04
     5   6    -0.03  -0.14  -0.04    -0.02   0.04  -0.05    -0.09   0.03  -0.06
     6   6     0.06   0.04  -0.01    -0.06  -0.02   0.03    -0.06  -0.03   0.04
     7   8    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.00  -0.01  -0.00
     8   1     0.11  -0.08   0.02     0.17  -0.14   0.08     0.04  -0.12   0.00
     9   1    -0.10   0.01  -0.00     0.07  -0.06   0.02    -0.05   0.01  -0.00
    10   1     0.55   0.10  -0.12     0.19   0.00  -0.02     0.01  -0.01   0.02
    11   1     0.07  -0.02   0.02     0.53   0.05  -0.12    -0.17  -0.04   0.07
    12   1    -0.01  -0.07  -0.00     0.17   0.25  -0.16    -0.17  -0.46   0.14
    13   1    -0.19  -0.11   0.12     0.13   0.30  -0.14    -0.08  -0.20   0.08
    14   6     0.03   0.04  -0.02     0.01  -0.02  -0.02     0.03  -0.00   0.00
    15   1     0.00   0.50   0.30     0.30  -0.00   0.23     0.50  -0.34   0.33
    16   1    -0.34  -0.01   0.00     0.27   0.02  -0.02     0.13  -0.02   0.07
    17   1    -0.01  -0.06   0.03     0.20   0.02  -0.02     0.27  -0.03   0.01
    18   1     0.03  -0.10  -0.06     0.02   0.11   0.04    -0.06   0.04  -0.07
    19   1    -0.06  -0.09   0.12     0.01   0.12   0.11     0.01   0.01   0.05
    20   1    -0.04   0.05   0.13     0.00  -0.00   0.12    -0.10   0.00   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1396.2077              1421.4058              1466.3572
 Red. masses --      1.4178                 1.2549                 1.1000
 Frc consts  --      1.6284                 1.4938                 1.3936
 IR Inten    --      0.5821                 7.8309                 8.7816
 RamAct Fr= 1--      0.5300                 0.1174                 8.7055
  Dep-P Fr= 1--      0.2796                 0.6914                 0.7485
  Dep-U Fr= 1--      0.4370                 0.8176                 0.8561
 Alpha2 Fr= 1--      0.0058                 0.0001                 0.0002
 Beta2  Fr= 1--      0.0386                 0.0160                 1.2422
 AlphaG Fr= 1--     -0.0257                -0.0008                -0.0113
 Gamma2 Fr= 1--      0.0602                 0.0673                -0.1499
 Delta2 Fr= 1--     -0.1036                 0.0341                 0.2364
 Raman1 Fr= 1--       2.120                  0.470                 34.822
 ROA1   Fr= 1--       2.462                  7.553                 -6.826
 CID1   Fr= 1--       1.161                 16.080                 -0.196
 Raman2 Fr= 1--       0.463                  0.192                 14.906
 ROA2   Fr= 1--       2.274                  1.343                 -5.488
 CID2   Fr= 1--       4.908                  6.996                 -0.368
 Raman3 Fr= 1--       0.926                  0.384                 29.813
 ROA3   Fr= 1--       2.462                  7.553                 -6.826
 CID3   Fr= 1--       2.657                 19.668                 -0.229
 RC180  Fr= 1--      -0.126                  0.635                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     2   6    -0.01  -0.05   0.02     0.00   0.01   0.00     0.04   0.04   0.02
     3   6     0.11   0.03  -0.01    -0.00  -0.01   0.00     0.01   0.00   0.00
     4   6    -0.06  -0.04   0.04     0.02   0.02  -0.02    -0.01  -0.01   0.01
     5   6    -0.02  -0.07  -0.08     0.01   0.01   0.04    -0.00   0.00  -0.01
     6   6    -0.01  -0.00   0.02     0.01   0.01  -0.02    -0.01   0.04  -0.05
     7   8    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.13   0.13  -0.03    -0.01  -0.03  -0.03    -0.20  -0.23  -0.38
     9   1     0.04   0.07  -0.03    -0.04  -0.02   0.02    -0.36  -0.22   0.20
    10   1    -0.40  -0.04   0.08     0.01   0.05  -0.02    -0.04   0.02   0.00
    11   1    -0.29   0.00   0.00    -0.03  -0.01  -0.03     0.01   0.01  -0.03
    12   1    -0.04   0.02   0.03    -0.04  -0.03   0.08     0.01   0.01  -0.02
    13   1     0.16   0.41  -0.15    -0.10  -0.13   0.05     0.04   0.05  -0.02
    14   6     0.02   0.01  -0.03    -0.04  -0.06  -0.11     0.00   0.00   0.02
    15   1     0.13   0.44   0.32    -0.07  -0.11  -0.10    -0.01   0.03  -0.00
    16   1    -0.11  -0.01   0.01    -0.02  -0.00   0.08     0.09   0.02   0.50
    17   1     0.15  -0.02   0.00    -0.08  -0.07   0.02     0.06  -0.48   0.11
    18   1     0.09   0.04   0.05     0.29   0.30   0.34    -0.06  -0.04  -0.06
    19   1    -0.04   0.05   0.19    -0.07   0.36   0.39     0.04   0.03  -0.06
    20   1     0.01   0.03   0.19     0.19   0.00   0.52     0.05  -0.00  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1474.7473              1488.6805              1498.7037
 Red. masses --      1.0886                 1.0714                 1.0598
 Frc consts  --      1.3949                 1.3989                 1.4025
 IR Inten    --      9.6688                 2.8086                 7.7256
 RamAct Fr= 1--      3.6397                 6.1956                 4.6750
  Dep-P Fr= 1--      0.7492                 0.7495                 0.7498
  Dep-U Fr= 1--      0.8566                 0.8568                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.5196                 0.8848                 0.6678
 AlphaG Fr= 1--      0.0004                -0.0016                -0.0005
 Gamma2 Fr= 1--      0.6238                -2.0883                -0.7936
 Delta2 Fr= 1--      0.2559                -1.0907                 0.1895
 Raman1 Fr= 1--      14.559                 24.782                 18.700
 ROA1   Fr= 1--      68.067               -235.379                -70.122
 CID1   Fr= 1--       4.675                 -9.498                 -3.750
 Raman2 Fr= 1--       6.236                 10.617                  8.013
 ROA2   Fr= 1--      12.923                -41.394                -20.562
 CID2   Fr= 1--       2.072                 -3.899                 -2.566
 Raman3 Fr= 1--      12.471                 21.235                 16.026
 ROA3   Fr= 1--      68.067               -235.379                -70.122
 CID3   Fr= 1--       5.458                -11.085                 -4.375
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
     2   6    -0.04  -0.04  -0.01     0.01   0.00   0.01     0.01   0.01  -0.00
     3   6    -0.01   0.00  -0.00     0.00  -0.02   0.03    -0.01   0.02  -0.03
     4   6    -0.02   0.02   0.01    -0.04   0.03   0.03    -0.01   0.01   0.01
     5   6    -0.00   0.00   0.00     0.01   0.01   0.01    -0.01   0.03  -0.01
     6   6     0.00   0.03  -0.04     0.00  -0.01   0.01     0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   1     0.19   0.24   0.38    -0.05  -0.05  -0.08    -0.02  -0.02  -0.05
     9   1     0.35   0.26  -0.21    -0.09  -0.03   0.04    -0.05  -0.03   0.02
    10   1     0.04  -0.04   0.00    -0.02   0.28  -0.06     0.05  -0.30   0.07
    11   1    -0.00  -0.00   0.04    -0.06   0.00  -0.28     0.06   0.01   0.30
    12   1     0.04  -0.10  -0.21     0.08  -0.20  -0.44     0.02  -0.08  -0.15
    13   1     0.21  -0.10   0.03     0.46  -0.18   0.05     0.17  -0.05   0.01
    14   6    -0.00  -0.00   0.00     0.03  -0.00  -0.02    -0.01   0.03  -0.02
    15   1    -0.01   0.00  -0.01    -0.03  -0.01  -0.04     0.02  -0.05  -0.01
    16   1     0.07   0.01   0.44    -0.01  -0.00  -0.08     0.03  -0.00   0.00
    17   1     0.01  -0.43   0.11    -0.02   0.08  -0.02    -0.01  -0.00   0.00
    18   1    -0.04  -0.01  -0.03     0.05   0.25   0.11     0.40  -0.36   0.24
    19   1     0.03   0.06  -0.03    -0.08  -0.27   0.00    -0.23  -0.21   0.42
    20   1     0.05  -0.00   0.01    -0.38   0.01   0.09     0.02  -0.01  -0.33
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1504.3794              1513.1215              1786.0520
 Red. masses --      1.0664                 1.0739                10.8447
 Frc consts  --      1.4219                 1.4487                20.3825
 IR Inten    --      5.9725                 5.0046               212.6753
 RamAct Fr= 1--      0.7963                 2.7246                21.4589
  Dep-P Fr= 1--      0.5586                 0.6063                 0.4470
  Dep-U Fr= 1--      0.7168                 0.7549                 0.6178
 Alpha2 Fr= 1--      0.0029                 0.0072                 0.1331
 Beta2  Fr= 1--      0.0951                 0.3428                 2.2096
 AlphaG Fr= 1--     -0.0040                 0.0257                -0.0041
 Gamma2 Fr= 1--     -0.0927                 0.9537                 1.0464
 Delta2 Fr= 1--      0.1158                 0.4538                -0.2535
 Raman1 Fr= 1--       3.185                 10.898                 85.836
 ROA1   Fr= 1--      -5.190                106.079                 92.341
 CID1   Fr= 1--      -1.630                  9.733                  1.076
 Raman2 Fr= 1--       1.141                  4.114                 26.515
 ROA2   Fr= 1--      -3.150                 19.259                 27.142
 CID2   Fr= 1--      -2.760                  4.682                  1.024
 Raman3 Fr= 1--       2.283                  8.227                 53.031
 ROA3   Fr= 1--      -5.190                106.079                 92.341
 CID3   Fr= 1--      -2.274                 12.893                  1.741
 RC180  Fr= 1--       0.434                  0.510                  0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.55  -0.40  -0.33
     2   6     0.01   0.01   0.00    -0.00  -0.01   0.00    -0.03   0.03   0.02
     3   6    -0.00   0.01  -0.01     0.01  -0.04   0.05    -0.01   0.01   0.00
     4   6    -0.03   0.03   0.02     0.01  -0.01   0.00     0.00  -0.00   0.00
     5   6    -0.02  -0.02   0.01    -0.02   0.02  -0.00    -0.02   0.01   0.00
     6   6     0.01  -0.01   0.02     0.00  -0.00   0.00    -0.04   0.02   0.03
     7   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.36   0.26   0.21
     8   1    -0.04  -0.05  -0.09     0.02   0.01   0.04     0.10  -0.25  -0.02
     9   1    -0.08  -0.06   0.05     0.02   0.04  -0.02    -0.06   0.11  -0.03
    10   1     0.02  -0.13   0.03    -0.05   0.53  -0.11     0.05  -0.04   0.00
    11   1     0.01   0.01   0.14    -0.09  -0.01  -0.52     0.03   0.02   0.02
    12   1     0.05  -0.19  -0.35    -0.00  -0.01   0.03     0.00  -0.01  -0.01
    13   1     0.36  -0.15   0.05    -0.02   0.03  -0.01     0.00   0.00  -0.00
    14   6    -0.03  -0.02   0.01    -0.03   0.02   0.01     0.00   0.00  -0.00
    15   1     0.01   0.04   0.07     0.03  -0.03   0.02     0.01  -0.02   0.03
    16   1    -0.06  -0.01  -0.18     0.01  -0.00   0.00     0.23   0.03  -0.14
    17   1    -0.02   0.17  -0.04    -0.00   0.00   0.00    -0.13  -0.02   0.03
    18   1    -0.17  -0.15  -0.19     0.14  -0.41   0.00     0.02  -0.03   0.00
    19   1     0.16   0.44  -0.10    -0.04   0.11   0.19    -0.01   0.01   0.04
    20   1     0.47  -0.01   0.07     0.32  -0.01  -0.26     0.01  -0.00  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3009.0785              3010.6625              3017.1934
 Red. masses --      1.0683                 1.0687                 1.0687
 Frc consts  --      5.6989                 5.7075                 5.7319
 IR Inten    --      0.7721                19.2033                19.0713
 RamAct Fr= 1--     41.2847               104.4733                66.0572
  Dep-P Fr= 1--      0.2074                 0.3174                 0.3316
  Dep-U Fr= 1--      0.3436                 0.4819                 0.4980
 Alpha2 Fr= 1--      0.5497                 1.0165                 0.6150
 Beta2  Fr= 1--      2.3642                 8.3902                 5.4832
 AlphaG Fr= 1--      1.2796                -0.4180                -0.5059
 Gamma2 Fr= 1--      0.1414                -4.4751                11.6009
 Delta2 Fr= 1--      0.9246                -3.9023                 5.0498
 Raman1 Fr= 1--     165.139                417.893                264.229
 ROA1   Fr= 1--      43.158               -554.484               1275.282
 CID1   Fr= 1--       0.261                 -1.327                  4.826
 Raman2 Fr= 1--      28.370                100.683                 65.798
 ROA2   Fr= 1--      -4.004                -76.184                238.023
 CID2   Fr= 1--      -0.141                 -0.757                  3.617
 Raman3 Fr= 1--      56.741                201.365                131.597
 ROA3   Fr= 1--      43.158               -554.484               1275.282
 CID3   Fr= 1--       0.761                 -2.754                  9.691
 RC180  Fr= 1--      -0.313                 -0.036                 -0.004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.02  -0.03  -0.05    -0.01  -0.01  -0.01    -0.01  -0.02  -0.02
     3   6     0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.02  -0.03  -0.05    -0.01   0.01   0.02
     5   6     0.01   0.01  -0.01    -0.02  -0.01   0.02    -0.02  -0.01   0.02
     6   6     0.00  -0.00   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.06
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.14   0.06  -0.15     0.03   0.01  -0.03     0.07   0.03  -0.07
     9   1     0.15   0.33   0.76     0.03   0.07   0.17     0.07   0.16   0.36
    10   1    -0.01  -0.03  -0.11    -0.02  -0.04  -0.15    -0.01  -0.02  -0.05
    11   1     0.00  -0.04   0.00     0.01  -0.07  -0.00    -0.00   0.01   0.00
    12   1     0.05  -0.02   0.02    -0.31   0.09  -0.13     0.10  -0.03   0.05
    13   1    -0.01  -0.03  -0.09     0.08   0.27   0.73    -0.03  -0.10  -0.26
    14   6    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    15   1    -0.13  -0.06   0.13     0.28   0.14  -0.29     0.23   0.12  -0.24
    16   1    -0.01   0.12   0.01     0.00  -0.01   0.00     0.02  -0.24  -0.02
    17   1    -0.04  -0.12  -0.38     0.00   0.00   0.01     0.08   0.22   0.69
    18   1     0.02   0.01  -0.02    -0.06  -0.02   0.06    -0.04  -0.02   0.04
    19   1    -0.01   0.00  -0.00     0.02  -0.01   0.01    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3029.8022              3033.1190              3038.0528
 Red. masses --      1.0699                 1.0482                 1.0603
 Frc consts  --      5.7868                 5.6816                 5.7661
 IR Inten    --     47.4115                15.1479                17.0666
 RamAct Fr= 1--    122.1003               225.6284               179.2008
  Dep-P Fr= 1--      0.2429                 0.0318                 0.0784
  Dep-U Fr= 1--      0.3908                 0.0616                 0.1453
 Alpha2 Fr= 1--      1.4762                 4.6537                 3.3070
 Beta2  Fr= 1--      7.9531                 2.3161                 4.3408
 AlphaG Fr= 1--      0.6510                 1.1033                -1.5674
 Gamma2 Fr= 1--      7.6235                -5.5434                -8.3206
 Delta2 Fr= 1--      4.0802                -2.7851                -7.9856
 Raman1 Fr= 1--     488.401                902.514                716.803
 ROA1   Fr= 1--     862.425               -621.290              -1054.317
 CID1   Fr= 1--       1.766                 -0.688                 -1.471
 Raman2 Fr= 1--      95.437                 27.793                 52.090
 ROA2   Fr= 1--     150.324               -110.761               -135.809
 CID2   Fr= 1--       1.575                 -3.985                 -2.607
 Raman3 Fr= 1--     190.874                 55.587                104.179
 ROA3   Fr= 1--     862.425               -621.290              -1054.317
 CID3   Fr= 1--       4.518                -11.177                -10.120
 RC180  Fr= 1--      -0.218                 -0.877                 -0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00   0.00
     3   6     0.00   0.00   0.01     0.00  -0.01   0.02    -0.01   0.03  -0.05
     4   6     0.00  -0.01  -0.02    -0.01   0.01   0.01     0.02  -0.00   0.02
     5   6     0.04   0.02  -0.04    -0.02  -0.01   0.02    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.03     0.00   0.00   0.02     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.00   0.00  -0.00    -0.03  -0.02   0.03     0.06   0.03  -0.06
     9   1     0.01   0.02   0.05    -0.01  -0.03  -0.07     0.01   0.02   0.05
    10   1    -0.02  -0.04  -0.15    -0.04  -0.08  -0.26     0.09   0.19   0.63
    11   1     0.00   0.01   0.00    -0.02   0.25   0.02     0.03  -0.50  -0.04
    12   1    -0.07   0.02  -0.03     0.14  -0.04   0.05    -0.27   0.08  -0.10
    13   1     0.02   0.10   0.26    -0.02  -0.07  -0.18    -0.01  -0.05  -0.12
    14   6    -0.01  -0.01  -0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.02
    15   1    -0.47  -0.23   0.48     0.21   0.10  -0.21     0.05   0.02  -0.05
    16   1     0.01  -0.11  -0.01    -0.01   0.06   0.01    -0.00  -0.00  -0.00
    17   1     0.04   0.11   0.36    -0.03  -0.07  -0.23    -0.00  -0.01  -0.03
    18   1    -0.12  -0.05   0.12    -0.34  -0.13   0.35    -0.13  -0.05   0.13
    19   1     0.30  -0.10   0.10     0.41  -0.13   0.13     0.26  -0.09   0.08
    20   1    -0.00   0.30  -0.03     0.00   0.39  -0.04    -0.00   0.23  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3058.8450              3072.3535              3094.3196
 Red. masses --      1.0924                 1.1031                 1.1012
 Frc consts  --      6.0222                 6.1351                 6.2125
 IR Inten    --     46.5471                46.5897                15.0190
 RamAct Fr= 1--    161.6175                72.9422                51.4957
  Dep-P Fr= 1--      0.1955                 0.4934                 0.6636
  Dep-U Fr= 1--      0.3271                 0.6608                 0.7978
 Alpha2 Fr= 1--      2.2210                 0.3714                 0.0792
 Beta2  Fr= 1--      8.8103                 8.0330                 6.8471
 AlphaG Fr= 1--     -1.0713                -0.5611                 0.2247
 Gamma2 Fr= 1--      9.9361               -27.8842                -6.9700
 Delta2 Fr= 1--      9.0497               -13.5885                -5.8486
 Raman1 Fr= 1--     646.470                291.769                205.983
 ROA1   Fr= 1--    1243.454              -3111.716               -856.278
 CID1   Fr= 1--       1.923                -10.665                 -4.157
 Raman2 Fr= 1--     105.724                 96.396                 82.165
 ROA2   Fr= 1--     166.068               -560.513               -120.491
 CID2   Fr= 1--       1.571                 -5.815                 -1.466
 Raman3 Fr= 1--     211.447                192.792                164.331
 ROA3   Fr= 1--    1243.454              -3111.716               -856.278
 CID3   Fr= 1--       5.881                -16.140                 -5.211
 RC180  Fr= 1--      -0.346                  0.322                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.03  -0.01    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
     4   6    -0.07   0.01  -0.05    -0.01  -0.00  -0.02     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.03   0.01
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.02   0.01  -0.02     0.08   0.04  -0.08    -0.02  -0.01   0.02
     9   1    -0.00  -0.01  -0.02     0.02   0.04   0.10     0.00   0.00   0.00
    10   1     0.02   0.04   0.12     0.08   0.15   0.57     0.00   0.00   0.01
    11   1     0.02  -0.39  -0.02    -0.05   0.72   0.02    -0.00   0.01  -0.00
    12   1     0.76  -0.23   0.28     0.14  -0.04   0.05    -0.04   0.02  -0.02
    13   1     0.02   0.12   0.30     0.02   0.08   0.21    -0.00  -0.01  -0.01
    14   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00     0.05  -0.06   0.01
    15   1     0.03   0.02  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    16   1     0.00  -0.02  -0.00     0.00  -0.02  -0.00     0.04  -0.38  -0.02
    17   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.01  -0.03  -0.11
    18   1    -0.04  -0.02   0.04     0.05   0.02  -0.06    -0.06  -0.04   0.08
    19   1     0.01  -0.00   0.00     0.06  -0.02   0.02    -0.60   0.18  -0.20
    20   1     0.00   0.06  -0.01    -0.00   0.08  -0.01     0.01   0.62  -0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3095.9944              3098.6575              3103.3695
 Red. masses --      1.1004                 1.0964                 1.0947
 Frc consts  --      6.2146                 6.2027                 6.2115
 IR Inten    --     23.2835                38.9040                19.9042
 RamAct Fr= 1--     20.6929               131.2321               111.7628
  Dep-P Fr= 1--      0.5148                 0.5224                 0.3091
  Dep-U Fr= 1--      0.6797                 0.6863                 0.4723
 Alpha2 Fr= 1--      0.0952                 0.5812                 1.1152
 Beta2  Fr= 1--      2.3443                15.0113                 8.7968
 AlphaG Fr= 1--     -0.0047                 0.1135                -0.1915
 Gamma2 Fr= 1--     14.8280                -3.9385                 5.7564
 Delta2 Fr= 1--     10.7656                 0.6275                 3.7657
 Raman1 Fr= 1--      82.772                524.929                447.051
 ROA1   Fr= 1--    1767.988               -358.015                673.122
 CID1   Fr= 1--      21.360                 -0.682                  1.506
 Raman2 Fr= 1--      28.131                180.136                105.562
 ROA2   Fr= 1--     269.747                -99.544                108.029
 CID2   Fr= 1--       9.589                 -0.553                  1.023
 Raman3 Fr= 1--      56.262                360.271                211.123
 ROA3   Fr= 1--    1767.988               -358.015                673.122
 CID3   Fr= 1--      31.424                 -0.994                  3.188
 RC180  Fr= 1--       0.359                  0.373                 -0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00   0.01    -0.01  -0.00   0.01    -0.05  -0.02   0.07
     3   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.03  -0.01     0.00  -0.07  -0.02    -0.00   0.01   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.08   0.04  -0.08     0.07   0.03  -0.06     0.67   0.30  -0.60
     9   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.05  -0.10  -0.22
    10   1     0.02   0.03   0.11    -0.01  -0.01  -0.04    -0.02  -0.03  -0.12
    11   1    -0.00   0.06   0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.00
    12   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.02   0.00  -0.01
    13   1     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    14   6     0.07   0.03  -0.04     0.00  -0.04   0.02    -0.01  -0.00   0.00
    15   1    -0.09  -0.04   0.10     0.04   0.02  -0.04     0.00   0.00  -0.00
    16   1    -0.03   0.27   0.01    -0.09   0.81   0.03     0.01  -0.13  -0.00
    17   1     0.01   0.02   0.09     0.03   0.06   0.23    -0.00  -0.01  -0.04
    18   1    -0.51  -0.19   0.54     0.14   0.04  -0.15     0.04   0.02  -0.04
    19   1    -0.34   0.12  -0.13    -0.15   0.04  -0.04     0.03  -0.01   0.01
    20   1     0.02  -0.35   0.02     0.00   0.42  -0.03    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   657.85592 905.368791227.62861
           X            0.99548   0.09292   0.01983
           Y           -0.09289   0.99567  -0.00240
           Z           -0.01997   0.00054   0.99980
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13166     0.09567     0.07055
 Rotational constants (GHZ):           2.74337     1.99338     1.47010
 Zero-point vibrational energy     469607.0 (Joules/Mol)
                                  112.23877 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    124.26   181.56   307.70   379.20   496.59
          (Kelvin)            524.43   617.60   669.38   713.47   803.68
                              976.89  1079.43  1136.59  1191.59  1267.48
                             1298.73  1378.84  1405.85  1413.54  1495.03
                             1534.73  1550.87  1622.34  1652.07  1725.74
                             1794.11  1798.28  1840.80  1884.23  1930.16
                             1957.49  1976.86  1989.39  2008.83  2045.09
                             2109.76  2121.83  2141.88  2156.30  2164.47
                             2177.04  2569.73  4329.39  4331.67  4341.07
                             4359.21  4363.98  4371.08  4401.00  4420.43
                             4452.04  4454.45  4458.28  4465.06
 
 Zero-point correction=                           0.178864 (Hartree/Particle)
 Thermal correction to Energy=                    0.186687
 Thermal correction to Enthalpy=                  0.187632
 Thermal correction to Gibbs Free Energy=         0.146815
 Sum of electronic and zero-point Energies=           -349.193398
 Sum of electronic and thermal Energies=              -349.185575
 Sum of electronic and thermal Enthalpies=            -349.184631
 Sum of electronic and thermal Free Energies=         -349.225447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  117.148             30.256             85.906
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.082
 Vibrational            115.371             24.294             17.765
 Vibration     1          0.601              1.959              3.741
 Vibration     2          0.611              1.927              3.003
 Vibration     3          0.644              1.820              2.010
 Vibration     4          0.670              1.740              1.638
 Vibration     5          0.724              1.585              1.188
 Vibration     6          0.738              1.545              1.103
 Vibration     7          0.791              1.407              0.861
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.851              1.259              0.668
 Vibration    10          0.914              1.121              0.527
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.295050D-67        -67.530104       -155.493811
 Total V=0       0.551433D+15         14.741493         33.943541
 Vib (Bot)       0.206653D-80        -80.684759       -185.783522
 Vib (Bot)    1  0.238222D+01          0.376982          0.868033
 Vib (Bot)    2  0.161703D+01          0.208717          0.480588
 Vib (Bot)    3  0.927272D+00         -0.032793         -0.075509
 Vib (Bot)    4  0.735655D+00         -0.133326         -0.306994
 Vib (Bot)    5  0.536231D+00         -0.270648         -0.623190
 Vib (Bot)    6  0.501346D+00         -0.299863         -0.690459
 Vib (Bot)    7  0.406145D+00         -0.391319         -0.901045
 Vib (Bot)    8  0.364004D+00         -0.438894         -1.010591
 Vib (Bot)    9  0.332639D+00         -0.478026         -1.100696
 Vib (Bot)   10  0.278623D+00         -0.554983         -1.277895
 Vib (V=0)       0.386223D+02          1.586838          3.653830
 Vib (V=0)    1  0.293413D+01          0.467479          1.076410
 Vib (V=0)    2  0.219256D+01          0.340952          0.785071
 Vib (V=0)    3  0.155349D+01          0.191307          0.440501
 Vib (V=0)    4  0.138949D+01          0.142855          0.328935
 Vib (V=0)    5  0.123317D+01          0.091024          0.209591
 Vib (V=0)    6  0.120806D+01          0.082088          0.189015
 Vib (V=0)    7  0.114417D+01          0.058490          0.134679
 Vib (V=0)    8  0.111846D+01          0.048622          0.111957
 Vib (V=0)    9  0.110054D+01          0.041606          0.095801
 Vib (V=0)   10  0.107239D+01          0.030353          0.069890
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.306096D+06          5.485857         12.631653
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000013700   -0.000002233   -0.000003183
      2        6          -0.000004999    0.000039617   -0.000010300
      3        6          -0.000001861    0.000000296    0.000002682
      4        6           0.000011671   -0.000011962   -0.000004619
      5        6           0.000015039    0.000009010    0.000021512
      6        6          -0.000007476   -0.000006649   -0.000003266
      7        8          -0.000001107    0.000002105   -0.000006063
      8        1           0.000001493   -0.000004377    0.000000119
      9        1          -0.000001746   -0.000003527    0.000002594
     10        1           0.000000288    0.000004125    0.000002689
     11        1           0.000002883    0.000000809    0.000000402
     12        1           0.000004840    0.000001077    0.000001270
     13        1           0.000003678   -0.000002355    0.000001251
     14        6          -0.000000668   -0.000012361   -0.000001929
     15        1          -0.000003634    0.000003384   -0.000001910
     16        1          -0.000001401   -0.000001529    0.000004060
     17        1          -0.000000503   -0.000002970   -0.000001054
     18        1           0.000002630   -0.000010571    0.000003519
     19        1          -0.000001918   -0.000002124   -0.000007950
     20        1          -0.000003510    0.000000236    0.000000177
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039617 RMS     0.000007845
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.913229D+02 -0.151898D+01 -0.235359D+01
      2  -0.151898D+01  0.889195D+02  0.399556D+00
      3  -0.235359D+01  0.399556D+00  0.773615D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.714335D+00  0.410402D+01 -0.348249D+01
      2  -0.126065D+02 -0.184341D+00 -0.171827D+02
      3   0.112505D+02  0.119690D+02  0.117416D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.282255D+02 -0.197284D+02 -0.257303D+02
      2   0.164960D+02  0.214588D+02  0.123809D+01
      3   0.117295D+02 -0.173042D+01  0.244922D+02
      4  -0.255566D+01 -0.231676D+02 -0.174700D+01
      5  -0.227011D+02 -0.157249D+01 -0.356262D+02
      6   0.555347D+00 -0.288682D+01  0.821883D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.357323D+01  0.489186D+01  0.878176D+00  0.467212D+01 -0.158548D+01
      2   0.489186D+01  0.105369D+00 -0.252142D+01 -0.158548D+01 -0.322032D+01
      3   0.878176D+00 -0.252142D+01  0.802008D+00 -0.222161D+01  0.169525D+01
                 6             7             8             9            10 
      1  -0.222161D+01  0.133137D+01 -0.276666D+01 -0.433664D-01  0.288216D+00
      2   0.169525D+01 -0.276666D+01  0.879225D+00  0.206765D+01 -0.402391D+01
      3   0.173436D+01 -0.433664D-01  0.206765D+01  0.102817D+01  0.266188D+01
                11            12            13            14            15 
      1  -0.402391D+01  0.266188D+01 -0.366934D+01  0.555373D+00  0.728107D+00
      2  -0.403830D+00  0.647109D+00  0.555373D+00  0.305409D+01 -0.151148D+01
      3   0.647109D+00 -0.267074D+01  0.728107D+00 -0.151148D+01 -0.241182D+01
                16            17            18            19            20 
      1   0.415677D+01  0.528363D+00 -0.323859D+01 -0.303899D+01  0.328334D+01
      2   0.528363D+00 -0.158144D+01 -0.350002D+01  0.328334D+01 -0.293020D+00
      3  -0.323859D+01 -0.350002D+01 -0.321872D+01 -0.187281D+01 -0.185177D+00
                21            22            23            24            25 
      1  -0.187281D+01  0.243306D+01  0.909421D+00 -0.154140D+00 -0.225832D+01
      2  -0.185177D+00  0.909421D+00 -0.780803D+01  0.538984D+00  0.199209D-01
      3   0.177432D+01 -0.154140D+00  0.538984D+00  0.214198D+01  0.180990D+01
                26            27            28            29            30 
      1   0.199209D-01  0.180990D+01  0.601486D+01 -0.364437D+01  0.294798D+01
      2  -0.705343D+00  0.203469D+01 -0.364437D+01  0.626441D-01 -0.946801D-01
      3   0.203469D+01  0.595359D+01  0.294798D+01 -0.946801D-01 -0.108113D+01
                31            32            33            34            35 
      1  -0.335496D+01 -0.234389D+00  0.724240D-01  0.412772D+01 -0.273096D+00
      2  -0.234389D+00  0.452104D+01 -0.320556D+00 -0.273096D+00 -0.788550D+00
      3   0.724240D-01 -0.320556D+00 -0.274428D+01 -0.605357D+00 -0.376791D+01
                36            37            38            39            40 
      1  -0.605357D+00 -0.412964D+01  0.307649D+01 -0.373495D+01  0.402697D+01
      2  -0.376791D+01  0.307649D+01  0.972950D+00  0.116958D+00  0.912966D+00
      3  -0.581279D+01 -0.373495D+01  0.116958D+00  0.271609D+01 -0.965418D-01
                41            42            43            44            45 
      1   0.912966D+00 -0.965418D-01 -0.462419D+01 -0.775100D-01  0.354431D+01
      2  -0.504109D+01 -0.289322D-01 -0.775100D-01  0.493608D+00  0.391871D+01
      3  -0.289322D-01  0.338742D+01  0.354431D+01  0.391871D+01  0.148372D+01
                46            47            48            49            50 
      1   0.441994D+01 -0.295186D+01  0.171102D+01 -0.208102D+01 -0.182975D+01
      2  -0.295186D+01 -0.193145D+01  0.705988D+00 -0.182975D+01  0.751209D+01
      3   0.171102D+01  0.705988D+00 -0.139990D+01  0.343390D+00 -0.287190D+00
                51            52            53            54            55 
      1   0.343390D+00  0.139874D+01  0.250120D+00 -0.848323D+00  0.111703D+02
      2  -0.287190D+00  0.250120D+00  0.927411D+00 -0.246634D+01 -0.492239D+01
      3  -0.295863D+01 -0.848323D+00 -0.246634D+01 -0.539038D+01 -0.268894D+01
                56            57            58            59            60 
      1  -0.492239D+01 -0.268894D+01 -0.500720D+01  0.442467D+01  0.160538D+01
      2   0.275429D+01  0.137952D+01  0.442467D+01 -0.413066D+01 -0.205207D+01
      3   0.137952D+01  0.136065D+01  0.160538D+01 -0.205207D+01 -0.163612D+01
                61            62            63            64            65 
      1  -0.355921D+01  0.209313D+01  0.334711D+01  0.571722D+01  0.251702D+01
      2   0.209313D+01 -0.173975D+01 -0.270133D+01  0.251702D+01  0.211773D+01
      3   0.334711D+01 -0.270133D+01 -0.331990D+01 -0.240094D+01 -0.100664D+01
                66            67            68            69            70 
      1  -0.240094D+01  0.176892D+01  0.163264D+01 -0.541980D+00 -0.353090D+01
      2  -0.100664D+01  0.163264D+01  0.150170D+01 -0.901062D+00 -0.136843D+01
      3   0.188340D+01 -0.541980D+00 -0.901062D+00  0.968044D+00  0.242594D+01
                71            72            73            74            75 
      1  -0.136843D+01  0.242594D+01  0.795477D+00  0.157121D+01  0.968568D+00
      2  -0.161806D+01  0.173082D+01  0.157121D+01  0.573728D+00  0.506055D+00
      3   0.173082D+01 -0.243383D+01  0.968568D+00  0.506055D+00  0.955249D+00
                76            77            78            79            80 
      1   0.143556D+01  0.684334D+00  0.537925D+00  0.174991D+01  0.843300D+00
      2   0.684334D+00  0.226056D+01  0.189580D+01  0.843300D+00  0.334482D+01
      3   0.537925D+00  0.189580D+01  0.198133D+01  0.197172D+01  0.276716D+01
                81            82            83            84            85 
      1   0.197172D+01 -0.296714D+00 -0.447706D+00 -0.838824D+00 -0.828304D+00
      2   0.276716D+01 -0.447706D+00 -0.146440D+00  0.744893D-01 -0.422060D+00
      3   0.554186D+01 -0.838824D+00  0.744893D-01 -0.841866D+00 -0.193457D+00
                86            87            88            89            90 
      1  -0.422060D+00 -0.193457D+00 -0.150023D+01 -0.106430D+00 -0.118739D+01
      2   0.265063D+00 -0.101322D+01 -0.106430D+00 -0.125021D+01  0.261745D+00
      3  -0.101322D+01 -0.117363D+01 -0.118739D+01  0.261745D+00 -0.776525D+01
                91            92            93            94            95 
      1  -0.136577D+00  0.122137D+01  0.161544D+00  0.148928D+01 -0.988588D+00
      2   0.122137D+01 -0.725141D+00  0.603778D-01 -0.988588D+00  0.121053D+02
      3   0.161544D+00  0.603778D-01 -0.340194D+00  0.971492D-01 -0.124013D+01
                96            97            98            99           100 
      1   0.971492D-01  0.432817D+00 -0.142507D-01 -0.373257D+00 -0.938313D+01
      2  -0.124013D+01 -0.142507D-01  0.139364D+00  0.111095D+01  0.288384D+01
      3   0.923569D+00 -0.373257D+00  0.111095D+01 -0.774801D+00 -0.115561D+01
               101           102           103           104           105 
      1   0.288384D+01 -0.115561D+01  0.209195D+01 -0.192717D+01  0.133327D+00
      2  -0.227325D+01  0.265434D+00 -0.192717D+01  0.110321D+01 -0.346223D+00
      3   0.265434D+00 -0.105273D+01  0.133327D+00 -0.346223D+00  0.649812D+00
               106           107           108           109           110 
      1  -0.248000D+01  0.728205D+00 -0.131859D+01 -0.439143D+00  0.930347D+00
      2   0.728205D+00 -0.918012D+00  0.972103D+00  0.930347D+00  0.304270D+00
      3  -0.131859D+01  0.972103D+00 -0.301122D+00  0.710410D+00  0.800288D-01
               111           112           113           114           115 
      1   0.710410D+00  0.907867D+00 -0.129659D+00 -0.345026D+00  0.109360D+01
      2   0.800288D-01 -0.129659D+00  0.158152D+01  0.195570D+01 -0.276569D+00
      3   0.489811D+00 -0.345026D+00  0.195570D+01  0.231021D+01 -0.841973D+00
               116           117           118           119           120 
      1  -0.276569D+00 -0.841973D+00  0.461599D+01 -0.213465D+01  0.390113D+01
      2   0.282840D+01  0.303633D+01 -0.213465D+01 -0.473867D+00 -0.489401D+00
      3   0.303633D+01  0.761675D+01  0.390113D+01 -0.489401D+00 -0.166073D+01
               121           122           123           124           125 
      1  -0.290079D+01  0.315822D+00 -0.894041D+00  0.333095D+01 -0.531726D+00
      2   0.315822D+00  0.739221D+01 -0.272022D+00 -0.531726D+00 -0.151869D+01
      3  -0.894041D+00 -0.272022D+00 -0.266644D+01 -0.241921D+01 -0.295094D+01
               126           127           128           129           130 
      1  -0.241921D+01 -0.499185D+01 -0.195484D+01  0.307946D+01 -0.199027D+01
      2  -0.295094D+01 -0.195484D+01 -0.162644D+01  0.778867D+00 -0.175175D+01
      3  -0.662932D+00  0.307946D+01  0.778867D+00 -0.292158D+01  0.831670D+00
               131           132           133           134           135 
      1  -0.175175D+01  0.831670D+00  0.348965D+01  0.961918D+00 -0.313337D+01
      2  -0.113674D+01  0.128497D+01  0.961918D+00  0.137783D+01 -0.178327D+01
      3   0.128497D+01 -0.169008D+01 -0.313337D+01 -0.178327D+01  0.404939D+01
               136           137           138           139           140 
      1   0.227184D+00 -0.110351D+01 -0.108540D+00 -0.148009D+01  0.997558D+00
      2  -0.110351D+01  0.122317D+01 -0.339591D+00  0.997558D+00 -0.948816D+01
      3  -0.108540D+00 -0.339591D+00  0.281009D+00 -0.351021D+00  0.150068D+01
               141           142           143           144           145 
      1  -0.351021D+00 -0.390307D+00 -0.179631D-01  0.239926D+00 -0.394666D+00
      2   0.150068D+01 -0.179631D-01 -0.324883D+00 -0.914751D+00  0.523294D+00
      3  -0.128553D+01  0.239926D+00 -0.914751D+00  0.857068D+00  0.107594D+01
               146           147           148           149           150 
      1   0.523294D+00  0.107594D+01  0.123016D+01  0.354236D+00  0.420964D-01
      2   0.226965D+00 -0.166251D+00  0.354236D+00 -0.264850D-01  0.113051D+01
      3  -0.166251D+00  0.105985D+01  0.420964D-01  0.113051D+01  0.183122D+01
               151           152           153           154           155 
      1   0.149974D+01  0.927890D-01  0.849449D+00  0.208883D+01  0.749508D+00
      2   0.927890D-01  0.123073D+01  0.324406D+00  0.749508D+00  0.106150D+01
      3   0.849449D+00  0.324406D+00  0.930965D+01 -0.155962D+01  0.137824D+00
               156           157           158           159           160 
      1  -0.155962D+01  0.828388D+00  0.503060D+00 -0.653095D-01 -0.194012D+01
      2   0.137824D+00  0.503060D+00 -0.368177D+00 -0.525137D+00 -0.306333D+00
      3   0.272617D+01 -0.653095D-01 -0.525137D+00  0.946212D+00  0.143141D+01
               161           162           163           164           165 
      1  -0.306333D+00  0.143141D+01 -0.819345D+01  0.369991D+00 -0.328610D+01
      2  -0.100621D+01  0.258197D+00  0.369991D+00 -0.142989D+01 -0.292605D-01
      3   0.258197D+00 -0.450036D+01 -0.328610D+01 -0.292605D-01 -0.229227D+01
               166           167           168           169           170 
      1   0.182538D+01 -0.993723D+00  0.809474D+00 -0.223061D+01  0.155052D+00
      2  -0.993723D+00 -0.392034D-01 -0.370255D+00  0.155052D+00 -0.218916D+00
      3   0.809474D+00 -0.370255D+00  0.103641D+01 -0.172371D+01  0.303977D+00
               171           172           173           174           175 
      1  -0.172371D+01 -0.760650D+00 -0.835006D+00 -0.449764D+00 -0.139768D+01
      2   0.303977D+00 -0.835006D+00 -0.992858D-01  0.797677D-01 -0.142751D+01
      3  -0.167258D+01 -0.449764D+00  0.797677D-01  0.212588D+00 -0.337814D+00
               176           177           178           179           180 
      1  -0.142751D+01 -0.337814D+00 -0.973816D-01  0.661772D-01  0.113372D+00
      2  -0.100380D+02 -0.113362D+01  0.661772D-01  0.448685D+00 -0.702177D+00
      3  -0.113362D+01 -0.134402D+01  0.113372D+00 -0.702177D+00  0.124581D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.740606D+01  0.951736D+01 -0.250843D+01  0.834624D+01 -0.135296D+01
      2  -0.885103D+01 -0.988170D+01 -0.788334D+00 -0.832158D+01  0.169849D+01
      3  -0.547474D+01 -0.842201D+01  0.344863D+01  0.118781D+01 -0.147647D+00
                 6             7             8             9            10 
      1   0.668883D+01 -0.114283D+01  0.149077D+02 -0.433804D+01 -0.689729D+01
      2  -0.803818D-01 -0.116137D+02 -0.182334D+01  0.117622D+02  0.863878D+01
      3  -0.734766D+01  0.135409D+01 -0.106858D+02  0.170052D+01  0.130729D+02
                11            12            13            14            15 
      1  -0.287275D+00  0.277850D+01 -0.279581D+01  0.171474D+01 -0.113822D+01
      2   0.156270D+01 -0.275007D+01  0.225787D+01 -0.252926D+01 -0.256900D+01
      3  -0.781488D+01  0.284700D+01 -0.620472D+00 -0.517897D+01  0.448410D+01
                16            17            18            19            20 
      1   0.306517D+01  0.858732D+01  0.642390D+01  0.521549D+01 -0.153333D+01
      2  -0.825285D+01 -0.412005D+01 -0.559435D+01 -0.111228D+01  0.162127D+01
      3   0.433963D+01  0.304663D+01 -0.269775D+00 -0.791988D+01  0.919204D+01
                21            22            23            24            25 
      1  -0.265475D+01  0.133467D+01  0.262898D+01 -0.707501D+01 -0.299902D+01
      2   0.154253D-01 -0.316745D+00  0.345712D+01 -0.103264D+01 -0.546185D+01
      3  -0.550220D+01  0.991919D+01  0.141391D+01 -0.192883D+01 -0.579185D+01
                26            27            28            29            30 
      1  -0.121978D+01 -0.125789D+02 -0.557985D+01  0.355492D+00  0.130324D+01
      2  -0.226655D+00  0.418302D+00 -0.102085D+02  0.131860D+01  0.255824D+01
      3  -0.167351D+01  0.358146D+01  0.221619D+00 -0.864864D+01  0.386046D+01
                31            32            33            34            35 
      1   0.720170D+00  0.384309D+01  0.201835D+01  0.532799D+00  0.743784D+01
      2   0.138041D+01  0.697289D+00  0.463125D+01 -0.378781D+01  0.600251D+01
      3  -0.243625D+01  0.763355D+01  0.115109D+00  0.495912D+01 -0.125329D+01
                36            37            38            39            40 
      1   0.510928D+01 -0.630766D+00  0.425352D+00  0.103239D+01  0.840011D+00
      2   0.831663D+01  0.137795D+02 -0.112843D+01  0.141121D+01 -0.603943D+01
      3  -0.608160D+01  0.812809D+01 -0.488991D+01  0.260378D+01 -0.721645D+00
                41            42            43            44            45 
      1  -0.362561D+01 -0.108397D+01 -0.881787D+00  0.655958D+01  0.259531D+01
      2  -0.179168D+01 -0.334497D+01 -0.199484D+01 -0.438801D+01 -0.275276D+01
      3  -0.100871D+02  0.139558D+01  0.487464D+01  0.123274D+01  0.286115D+01
                46            47            48            49            50 
      1  -0.613989D+00 -0.358885D+01 -0.236196D+01 -0.329621D+01  0.825481D+01
      2  -0.841317D+01  0.484758D+01  0.270239D+00  0.579254D+01  0.159803D+01
      3  -0.347095D+01  0.482478D+01 -0.258414D+01  0.107898D+02 -0.274143D+01
                51            52            53            54            55 
      1  -0.812271D+01  0.144687D+00 -0.125431D+01 -0.833462D+01 -0.439761D+01
      2   0.174296D+01 -0.877097D+01  0.433056D+00 -0.229482D+01 -0.264090D+01
      3   0.116390D+01 -0.355660D+01  0.951307D+00  0.103800D+01  0.131754D+01
                56            57            58            59            60 
      1  -0.435146D+01  0.372333D+01 -0.133912D+01  0.150911D+00 -0.709335D+01
      2   0.420265D+01  0.918034D+01  0.413300D+01 -0.350539D+01 -0.376600D+01
      3  -0.824512D+01 -0.934941D+00  0.805712D+00  0.960846D+01  0.334732D+01
                61            62            63            64            65 
      1   0.115090D+01 -0.120690D+01 -0.604748D+00  0.310098D+01  0.106922D+01
      2   0.450594D+01 -0.123819D+01 -0.103048D+02 -0.223554D+01 -0.224375D+01
      3   0.717480D+00  0.815200D+01  0.107836D+01  0.501298D+01 -0.274015D+01
                66            67            68            69            70 
      1  -0.338410D+01  0.136748D+01  0.117430D+01 -0.272401D+01 -0.354171D+01
      2   0.501602D+01 -0.647446D+00 -0.106180D+01  0.201088D+01  0.220836D+01
      3  -0.154117D+01  0.193099D+01  0.464226D+00  0.257297D-01 -0.359287D+01
                71            72            73            74            75 
      1  -0.471880D+00  0.366986D+01 -0.132073D+01 -0.876862D+00 -0.188024D+01
      2   0.243511D+01 -0.470123D+01  0.110942D+01  0.865147D+00  0.290017D+01
      3   0.155386D+01  0.510093D+00 -0.122370D+01  0.840112D+00  0.646472D+00
                76            77            78            79            80 
      1  -0.672191D+00 -0.141480D+01 -0.390219D+01 -0.293095D+01 -0.377720D+01
      2   0.415999D+00  0.207742D+01  0.291349D+01  0.103118D+01  0.531049D+01
      3   0.278152D+01 -0.209975D+01 -0.177573D+01  0.246986D+01 -0.249983D+01
                81            82            83            84            85 
      1  -0.936979D+01  0.176611D+01  0.833226D+00  0.196595D+01  0.118370D+01
      2   0.919340D+01 -0.571226D-01 -0.496405D+00  0.766550D+00 -0.151791D+01
      3  -0.313528D+00 -0.603595D+00 -0.305403D+01 -0.144413D+01 -0.165726D+01
                86            87            88            89            90 
      1   0.283607D+01  0.304360D+01  0.255089D+01  0.426805D+01  0.156121D+02
      2  -0.582559D+00 -0.136367D-01 -0.371191D+01 -0.490069D+00  0.766820D+00
      3  -0.227081D+00 -0.287182D+00 -0.286899D+01 -0.841099D+00 -0.186823D+01
                91            92            93            94            95 
      1  -0.960485D+00  0.272112D+00  0.512544D+00 -0.317229D+00 -0.202473D+01
      2  -0.150486D-01  0.434343D+00  0.114163D+01  0.187667D+01 -0.158536D+01
      3   0.225369D-01  0.823129D+00  0.870062D+00  0.725229D+01  0.115210D+00
                96            97            98            99           100 
      1  -0.437715D+01  0.350921D+00 -0.910381D+00  0.156983D+01  0.314130D+01
      2  -0.308940D+00 -0.220310D+00 -0.606132D+00 -0.230849D+00  0.607879D+01
      3  -0.338983D+00  0.161425D+01 -0.466047D+00 -0.554272D+00 -0.783685D+01
               101           102           103           104           105 
      1  -0.112562D+01  0.230432D+01 -0.118325D+01  0.908041D+00 -0.201764D+01
      2  -0.204787D+01  0.529896D+01 -0.101308D+01  0.141224D+01 -0.189151D+01
      3  -0.414818D+01 -0.866033D+00  0.111057D+01 -0.258787D+00 -0.562167D+00
               106           107           108           109           110 
      1   0.201675D+01 -0.422883D+00  0.112413D+01  0.109370D+00  0.679497D+00
      2   0.232297D+01 -0.218183D+01  0.174311D+01 -0.733033D+00 -0.642104D+00
      3  -0.269004D+01 -0.187198D+01  0.196782D+00  0.127692D+01  0.101447D+01
               111           112           113           114           115 
      1  -0.914825D+00  0.341253D+00 -0.541688D+00 -0.308277D+01  0.781383D+00
      2  -0.691832D-01 -0.748564D+00 -0.289847D+01 -0.322816D+01 -0.243609D+01
      3   0.657848D+00  0.286106D+01  0.183444D+01  0.243094D+01  0.193757D+01
               116           117           118           119           120 
      1   0.153702D+01 -0.792178D+01  0.904781D+01 -0.170175D+00 -0.281657D+01
      2  -0.420692D+01 -0.112216D+02 -0.300563D+01 -0.767009D+00  0.120315D+02
      3   0.424951D+01  0.327863D+01 -0.108848D+02  0.347998D+00 -0.723011D+01
               121           122           123           124           125 
      1  -0.299499D+01 -0.106309D+02 -0.711866D+01 -0.303422D+01 -0.186996D+01
      2  -0.720676D+00  0.104070D+01  0.428442D+01  0.733631D+01  0.520285D+01
      3   0.676246D+01  0.134877D+02  0.400129D+00 -0.610590D+01 -0.176303D+01
               126           127           128           129           130 
      1   0.325551D+01 -0.789496D-01 -0.203972D+01 -0.129401D+01 -0.126580D+01
      2  -0.156853D+01  0.518248D+00  0.250916D+00  0.334700D+01  0.141750D+01
      3  -0.211390D+01  0.968411D+00 -0.355591D+01 -0.127708D+01  0.528293D+00
               131           132           133           134           135 
      1  -0.690138D+00 -0.144120D+01  0.862724D-01  0.187721D+01  0.888893D+00
      2  -0.319987D+00  0.254180D+01 -0.175630D+01  0.180990D+01 -0.362169D+01
      3  -0.103912D+01  0.145975D+01 -0.284345D+01  0.262253D+01 -0.323449D+00
               136           137           138           139           140 
      1  -0.779665D+00  0.583350D+00  0.193983D+00  0.350290D+00 -0.965159D+01
      2  -0.721588D+00  0.884797D+00  0.136092D+01  0.208695D+01 -0.806346D+00
      3  -0.109826D+01 -0.979698D+00  0.739082D+00  0.535051D+01  0.209077D+01
               141           142           143           144           145 
      1  -0.286119D+01  0.520555D+00 -0.215861D+00 -0.267975D+00  0.125549D+01
      2  -0.318570D+00 -0.444394D+00 -0.227297D+00 -0.119300D+00  0.111157D+01
      3   0.229423D+00  0.761875D+00  0.804876D+00  0.165091D+00  0.883356D+00
               146           147           148           149           150 
      1   0.292555D+00  0.227138D+01 -0.386675D+00  0.133059D+01  0.367907D+01
      2  -0.557460D+00 -0.851505D+00 -0.182106D+01 -0.341812D-01 -0.357535D+00
      3  -0.178653D+01 -0.160391D+01 -0.161306D+00 -0.290404D+00 -0.923693D+00
               151           152           153           154           155 
      1   0.735209D+00  0.442569D+01  0.119828D+02 -0.410888D+01 -0.294364D+01
      2  -0.359988D+01  0.326395D+00  0.296515D-01  0.790829D+01  0.156616D+01
      3  -0.133568D+01 -0.440354D+00 -0.216408D+01 -0.214018D+01 -0.759349D+00
               156           157           158           159           160 
      1   0.419189D+01 -0.148116D+01 -0.147138D+01  0.152080D+01  0.360110D+01
      2  -0.587915D+01  0.205997D+01  0.196514D+01 -0.176275D+01 -0.811020D+01
      3   0.236298D+01  0.367570D+00 -0.110316D+01 -0.659949D+00  0.221530D+01
               161           162           163           164           165 
      1   0.425405D+01 -0.686126D+01 -0.545563D+01  0.265709D+01 -0.284739D+01
      2  -0.161904D+01  0.911596D+01 -0.300975D+01  0.982747D+00  0.381982D+01
      3  -0.354542D+00 -0.199857D+01  0.109820D+02 -0.634301D+01  0.401271D+01
               166           167           168           169           170 
      1   0.181079D+01 -0.964608D+00  0.849645D+00 -0.232954D+01  0.199326D+01
      2   0.724622D+00 -0.148804D+00 -0.182930D+01 -0.161385D+01 -0.631827D+00
      3  -0.323310D+01  0.194493D+01 -0.126835D+01  0.349407D+01 -0.127620D+01
               171           172           173           174           175 
      1  -0.256571D+01 -0.218749D+00  0.231679D+00  0.384759D+00  0.614202D+00
      2   0.216813D+01  0.682623D+00 -0.570762D+00 -0.944624D-01 -0.999047D+00
      3   0.292579D+01 -0.474233D+00 -0.121510D+00  0.733427D+00  0.284719D+01
               176           177           178           179           180 
      1   0.932541D+01 -0.444751D+01  0.564243D+00 -0.321223D-01  0.812439D+00
      2   0.131740D+01  0.237857D+01 -0.129472D+01  0.997748D+00  0.720846D-01
      3  -0.161784D+02 -0.113577D+01  0.475177D-01  0.512195D+00 -0.164847D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.222404D+02  0.136065D+02 -0.191709D+01  0.205719D+02 -0.746520D+01
      2   0.833466D+01 -0.397521D+01 -0.356912D+01 -0.145239D+02  0.785300D+00
      3   0.139057D+02 -0.963131D+01  0.548621D+01 -0.604796D+01  0.667990D+01
      4   0.250877D+02 -0.116576D+02 -0.820799D+01 -0.162335D+02 -0.321650D+00
      5   0.916558D+01 -0.569427D+01 -0.341014D+01 -0.897046D+01  0.525130D+01
      6  -0.423531D+01  0.781589D+01  0.198783D+01  0.774384D+00 -0.466681D+01
                 6             7             8             9            10 
      1  -0.852036D+01  0.130573D+02 -0.957097D+01 -0.225214D+01  0.199844D+00
      2   0.426278D+01 -0.623088D+01  0.176508D+01 -0.319773D+01 -0.311353D+01
      3   0.425757D+01 -0.682639D+01  0.780590D+01  0.544987D+01  0.291369D+01
      4   0.378533D+01 -0.124884D+02  0.112331D+02  0.996152D+01 -0.996347D+01
      5   0.800021D+01  0.228516D+01  0.544769D+01  0.128205D+02  0.105327D+02
      6  -0.762754D+01  0.352855D+01 -0.242495D+01  0.654490D+00  0.962843D+01
                11            12            13            14            15 
      1  -0.871292D+01  0.947856D+01 -0.716575D+01 -0.298817D+01  0.545780D+01
      2   0.544124D+01 -0.492730D+01  0.447019D+01  0.126913D+02 -0.342893D+01
      3   0.327168D+01 -0.455126D+01  0.269556D+01 -0.970308D+01 -0.202886D+01
      4  -0.970222D+01  0.860837D+01 -0.207001D+01  0.266967D-01 -0.262164D+01
      5   0.609576D+01 -0.105643D+02  0.411745D+01 -0.162751D+01 -0.859547D+01
      6  -0.166322D+01 -0.701606D+01  0.148234D+01 -0.209364D+01 -0.577471D+01
                16            17            18            19            20 
      1   0.879618D+01  0.904564D+01 -0.124718D+00 -0.590957D+01 -0.192920D+01
      2  -0.429469D+01 -0.499436D+01 -0.158154D+01  0.794878D+01  0.335989D+01
      3  -0.450149D+01 -0.405128D+01  0.170626D+01 -0.203922D+01 -0.143068D+01
      4   0.102254D+02 -0.620027D+01 -0.187414D+02 -0.543155D+01  0.235595D+00
      5  -0.122156D+02 -0.125887D+02 -0.714153D+01  0.195598D+01 -0.173206D+01
      6  -0.988905D+01 -0.139568D+02 -0.132669D+02 -0.785927D+01 -0.215697D+00
                21            22            23            24            25 
      1   0.233395D+01 -0.173480D+01  0.261861D+02  0.399588D+00  0.313205D+01
      2  -0.159950D+00  0.493212D+01 -0.483673D+02  0.487891D+01  0.398090D+00
      3  -0.217400D+01 -0.319732D+01  0.221812D+02 -0.527850D+01 -0.353014D+01
      4  -0.464726D+01  0.588016D+01  0.104577D+02 -0.146101D+01 -0.491233D+01
      5  -0.146151D+01  0.586654D-01 -0.925951D+00 -0.895379D+00  0.830861D+00
      6   0.521772D+01 -0.206960D+01  0.795304D+01  0.770980D+01  0.418282D+01
                26            27            28            29            30 
      1   0.774180D+00  0.433977D+01 -0.228117D+02  0.144867D+02 -0.999186D+01
      2  -0.840420D+00  0.121598D+02  0.474455D+01 -0.809917D+01  0.668652D+01
      3   0.662399D-01 -0.164995D+02  0.180671D+02 -0.638750D+01  0.330534D+01
      4   0.121532D+01  0.280808D+01  0.205805D+02 -0.692991D+01  0.604875D+01
      5  -0.596317D+00 -0.454415D+01 -0.970100D+01  0.607643D+00  0.407185D+01
      6   0.764813D+01  0.167527D+02  0.360075D+01  0.880640D+00 -0.338133D+01
                31            32            33            34            35 
      1   0.974165D+01 -0.259040D+01  0.544567D+01 -0.118402D+02  0.626472D+01
      2  -0.536024D+01  0.878563D+01  0.146605D+01  0.621819D+01  0.401970D+01
      3  -0.438140D+01 -0.619522D+01 -0.691172D+01  0.562204D+01 -0.102844D+02
      4  -0.841233D+01 -0.785494D+01  0.871259D+00  0.976434D+01  0.350546D+01
      5   0.880173D-01 -0.250189D+01  0.631610D+01  0.143010D+01  0.927748D+01
      6  -0.624820D+00 -0.205658D+01 -0.958524D+01  0.532095D+00 -0.952888D+01
                36            37            38            39            40 
      1   0.110968D+02  0.119142D+01 -0.857281D+01  0.142628D+02 -0.574200D+01
      2  -0.643930D-01  0.177184D+01  0.531358D+01 -0.969696D+01  0.423282D+01
      3  -0.110324D+02 -0.296326D+01  0.325922D+01 -0.456580D+01  0.150919D+01
      4   0.100490D+02 -0.667543D+01 -0.559283D+01  0.627306D+01 -0.759418D+01
      5   0.124665D+02  0.174741D+02  0.569034D+01 -0.144504D+02  0.236041D+01
      6  -0.199024D+02  0.920488D+01 -0.320830D+00 -0.584040D+01  0.292336D+01
                41            42            43            44            45 
      1  -0.514958D+01 -0.811896D+00  0.108369D+02  0.228067D+01 -0.100975D+02
      2   0.706966D+01 -0.612961D+00 -0.862429D+01 -0.599947D+01  0.324572D+01
      3  -0.192008D+01  0.142486D+01 -0.221259D+01  0.371880D+01  0.685175D+01
      4   0.625151D+01  0.166976D+01  0.404650D+01 -0.323101D+01 -0.164721D+02
      5   0.409196D+01 -0.105126D+02 -0.158849D+02 -0.135975D+02  0.318069D+01
      6  -0.290176D+00 -0.705441D+01 -0.911971D+01 -0.596805D+01  0.127693D+01
                46            47            48            49            50 
      1   0.366469D+00 -0.544381D+01  0.296151D+01 -0.207520D+01  0.141278D+02
      2  -0.119524D+01  0.708696D+01  0.359736D+01  0.359395D+01 -0.259288D+02
      3   0.828769D+00 -0.164315D+01 -0.655887D+01 -0.151875D+01  0.118010D+02
      4  -0.641640D+01  0.715910D+00 -0.853581D+00  0.329998D+01  0.848725D+01
      5  -0.387330D+01 -0.933987D+00  0.286903D+01 -0.792749D+00 -0.261900D+01
      6  -0.602342D+01 -0.438378D+01  0.282138D+01 -0.253458D+01  0.961495D+01
                51            52            53            54            55 
      1   0.603998D+01 -0.283189D+01  0.526183D+01  0.153787D+02  0.599562D+02
      2   0.718802D+01  0.205060D+01  0.175124D+01  0.131341D+02 -0.275111D+02
      3  -0.132280D+02  0.781288D+00 -0.701307D+01 -0.285127D+02 -0.324451D+02
      4  -0.464525D+00 -0.278301D+00 -0.279595D+00 -0.408719D+00 -0.358611D+02
      5   0.755172D+00  0.373676D+01 -0.692253D+00 -0.647335D+01 -0.137876D+02
      6   0.496334D+01  0.712192D+00  0.544829D+01  0.247368D+01  0.546844D+01
                56            57            58            59            60 
      1  -0.171752D+02 -0.842220D+01 -0.191210D+02  0.874665D+01  0.223789D+01
      2   0.415444D+01  0.698850D+01  0.555661D+01  0.508314D+01 -0.270743D+00
      3   0.130208D+02  0.143370D+01  0.135644D+02 -0.138298D+02 -0.196714D+01
      4   0.263562D+02  0.760949D+01  0.306355D+02 -0.245677D+02 -0.826949D+01
      5   0.558814D+01  0.157954D+02  0.792712D+01 -0.694573D+01 -0.984272D+01
      6  -0.375133D+01 -0.599866D+01 -0.430334D+01  0.828975D+01  0.108619D+02
                61            62            63            64            65 
      1  -0.120369D+02  0.381317D+01  0.528812D+01  0.209006D+02  0.567477D+01
      2   0.935374D+01 -0.349411D+00 -0.828536D+01 -0.872901D+01  0.457700D+00
      3   0.268312D+01 -0.346376D+01  0.299723D+01 -0.121716D+02 -0.613248D+01
      4   0.125425D+02 -0.953762D+01 -0.130227D+02  0.230285D+02  0.156329D+02
      5   0.200597D+02 -0.115466D+02 -0.189245D+02 -0.135064D+02 -0.564230D+01
      6  -0.830023D+01  0.120646D+02  0.750327D+01 -0.750340D+01 -0.407098D+01
                66            67            68            69            70 
      1  -0.699718D+01  0.132421D+01 -0.100216D+00  0.710901D+00 -0.840504D+01
      2   0.412144D+01  0.374054D+01  0.463533D+01 -0.264158D+01  0.512401D+01
      3   0.287574D+01 -0.506474D+01 -0.453512D+01  0.193068D+01  0.328103D+01
      4  -0.940166D+01  0.122453D+02  0.106385D+02 -0.523045D+01 -0.135482D+02
      5   0.110478D+02 -0.294364D+01 -0.448197D+01  0.370315D+01  0.128180D+02
      6   0.637141D+01 -0.378108D+01 -0.500866D+01  0.620161D+01  0.787727D+01
                71            72            73            74            75 
      1  -0.109487D+01  0.169168D+01  0.121007D+01  0.321174D+01  0.185462D+01
      2  -0.163791D+01 -0.362411D+01  0.694001D-01 -0.105411D+01 -0.185163D+01
      3   0.273278D+01  0.193242D+01 -0.127947D+01 -0.215763D+01 -0.298869D-02
      4  -0.924651D+01  0.108772D+02  0.709199D+01  0.759619D+01  0.509340D+01
      5   0.749339D+01 -0.117176D+02  0.510709D+01  0.277981D+01  0.730493D+01
      6   0.778950D+01 -0.789228D+01  0.403028D+01  0.277016D+01  0.355270D+01
                76            77            78            79            80 
      1   0.154046D+01 -0.620878D+01 -0.430712D+01  0.294766D+01 -0.688511D+01
      2   0.551061D+00  0.790074D+01  0.469369D+01 -0.243321D+01  0.643520D+01
      3  -0.209153D+01 -0.169195D+01 -0.386571D+00 -0.514449D+00  0.449909D+00
      4   0.688816D+01  0.891716D+01  0.721122D+01  0.824269D+01  0.133728D+02
      5   0.198987D+01  0.584564D+01  0.574316D+01  0.970503D+01  0.993828D+01
      6   0.341658D+01  0.967661D+01  0.112932D+02  0.742142D+01  0.152363D+02
                81            82            83            84            85 
      1  -0.695366D+01  0.166090D+01  0.445117D+00 -0.265310D+00  0.513421D-01
      2  -0.157822D+01 -0.474046D+01 -0.105341D+01 -0.102626D+01 -0.144786D+01
      3   0.853187D+01  0.307955D+01  0.608297D+00  0.129157D+01  0.139652D+01
      4   0.139060D+02 -0.719358D+00  0.191491D+01 -0.173348D+01 -0.429069D+00
      5   0.180004D+02  0.225036D+01  0.445763D+00  0.740220D+01  0.592153D+00
      6   0.215377D+02 -0.145916D+01  0.110461D+01 -0.279260D+01  0.544641D+00
                86            87            88            89            90 
      1  -0.312875D+01 -0.663692D-01 -0.133966D+01  0.313855D+01 -0.161893D+02
      2   0.303244D+01 -0.471386D+01 -0.241889D+01 -0.442768D+01 -0.140220D+02
      3   0.963156D-01  0.478023D+01  0.375855D+01  0.128913D+01  0.302113D+02
      4  -0.803769D+00  0.104476D+01 -0.357390D+01  0.176248D+01 -0.179980D+01
      5   0.988929D+00  0.932896D+00  0.537804D+01  0.513209D-02  0.731143D+01
      6  -0.226021D+01  0.111581D-01 -0.302772D+01  0.584657D+01 -0.222079D+02
                91            92            93            94            95 
      1  -0.193395D+01  0.133238D+01 -0.430189D+00  0.254091D+01 -0.417879D+02
      2   0.642454D+01 -0.382707D+01  0.157866D+00 -0.509365D+01  0.744125D+02
      3  -0.449058D+01  0.249469D+01  0.272323D+00  0.255273D+01 -0.326246D+02
      4  -0.198684D+01  0.108389D+02 -0.513873D+00  0.934361D+01 -0.113775D+02
      5   0.702732D-01 -0.165124D+01  0.187021D+01 -0.142835D+01  0.226377D+01
      6  -0.133007D+00  0.589333D+00 -0.901821D+00  0.110253D+01 -0.135727D+02
                96            97            98            99           100 
      1   0.465423D+01 -0.243823D+00  0.318108D+00 -0.515567D+01  0.448244D+02
      2  -0.610471D+01 -0.366215D+00  0.102295D+01  0.477405D+01 -0.185326D+02
      3   0.145048D+01  0.610038D+00 -0.134106D+01  0.381622D+00 -0.262918D+02
      4   0.106062D+01  0.691905D+00 -0.143397D+00 -0.129501D+01 -0.310751D+02
      5  -0.846818D+00  0.108529D+01 -0.706585D+00  0.590401D+00  0.315835D+01
      6   0.888427D+01 -0.137509D+01  0.916274D+01 -0.280260D+01 -0.681279D+00
               101           102           103           104           105 
      1  -0.103409D+02  0.526077D+01 -0.610449D+01  0.482858D+01 -0.797933D+00
      2   0.627733D+00 -0.209531D+01 -0.165393D+01  0.179975D+01 -0.103268D+01
      3   0.971316D+01 -0.316546D+01  0.775843D+01 -0.662834D+01  0.183061D+01
      4   0.173818D+02 -0.343361D+01  0.157221D+02 -0.994373D+01  0.211289D+01
      5  -0.458834D+00  0.707310D+01 -0.444372D+00  0.156234D+01 -0.227292D+01
      6  -0.240910D+00 -0.282303D+01  0.186714D+00 -0.841415D+00  0.337678D+01
               106           107           108           109           110 
      1   0.922380D+01 -0.255789D+01  0.312876D+01  0.149068D+01 -0.384609D+01
      2  -0.391692D+01 -0.126126D+01 -0.241919D+01 -0.134959D+01  0.238026D+01
      3  -0.530688D+01  0.381914D+01 -0.709567D+00 -0.141083D+00  0.146583D+01
      4  -0.847048D+01  0.470126D+01 -0.520915D+01 -0.312225D+01  0.273908D+01
      5   0.805433D+01 -0.365303D+01  0.316887D+01 -0.133722D+01  0.151964D+01
      6  -0.325946D+01  0.353168D+01 -0.496866D+00  0.244239D+01  0.721994D+00
               111           112           113           114           115 
      1  -0.233147D+01 -0.200226D+01 -0.705261D+01 -0.627614D+01 -0.163563D+01
      2   0.104276D+01  0.106882D+01  0.541975D+01  0.338044D+01  0.207767D+01
      3   0.128871D+01  0.933440D+00  0.163285D+01  0.289570D+01 -0.442039D+00
      4   0.198115D+01  0.452977D+01 -0.417237D+01 -0.559861D+01  0.420217D+01
      5   0.393663D+01  0.225842D+01 -0.449591D+01 -0.533254D+01  0.713580D+01
      6   0.227269D+01 -0.146800D+01  0.103681D+02  0.139420D+02 -0.331042D+01
               116           117           118           119           120 
      1  -0.799938D+01 -0.154154D+02 -0.226928D+02  0.826834D+01 -0.229140D+02
      2   0.237663D+01 -0.815807D+01  0.231472D+02 -0.439645D+01  0.666624D+01
      3   0.562275D+01  0.235735D+02 -0.454393D+00 -0.387189D+01  0.162478D+02
      4  -0.838795D+01 -0.101609D+02  0.119640D+01  0.553343D+01 -0.489419D+01
      5  -0.844544D+01 -0.196837D+02 -0.207941D+02  0.449778D+01 -0.346844D+01
      6   0.145825D+02  0.256401D+02 -0.256910D+01  0.192441D+00  0.565898D+01
               121           122           123           124           125 
      1   0.134939D+02  0.138629D+02  0.787688D+00 -0.203891D+02 -0.244540D+01
      2  -0.101914D+02 -0.327733D+02 -0.600260D+01  0.717335D+01 -0.100643D+01
      3  -0.330245D+01  0.189104D+02  0.521491D+01  0.132157D+02  0.345183D+01
      4   0.404583D+01 -0.219267D+02  0.170307D+01 -0.425590D+01  0.507240D+01
      5   0.739927D+01  0.143238D+01  0.736622D+01 -0.122837D+01  0.911533D+01
      6   0.313550D+00 -0.772905D+01  0.766391D+01  0.721243D+01  0.747436D+01
               126           127           128           129           130 
      1   0.313651D+01  0.201369D+02  0.568137D+01 -0.101863D+02  0.451873D+01
      2   0.411846D+01 -0.142594D+02 -0.335023D+01  0.952005D+01 -0.134341D+01
      3  -0.725498D+01 -0.587753D+01 -0.233113D+01  0.666254D+00 -0.317532D+01
      4   0.141570D+02  0.143444D+02  0.101662D+02 -0.763760D+01  0.112029D+02
      5   0.623886D+01 -0.212065D+02 -0.635873D+01  0.184493D+02 -0.621691D+01
      6   0.528523D+01 -0.753839D+01 -0.409479D+01  0.710275D+01 -0.513196D+01
               131           132           133           134           135 
      1   0.191854D+01 -0.943322D+00 -0.844383D+01 -0.115307D+01  0.409638D+01
      2   0.316490D+00  0.385697D+00  0.100646D+02  0.252070D+01 -0.118854D+02
      3  -0.223503D+01  0.557625D+00 -0.162080D+01 -0.136763D+01  0.778903D+01
      4   0.790503D+01 -0.658778D+01 -0.842661D+01 -0.606540D+01  0.930072D+01
      5  -0.728428D+01  0.731116D+01  0.195816D+02  0.821916D+01 -0.213749D+02
      6  -0.591768D+01  0.831174D+01  0.728060D+01  0.714438D+01 -0.100503D+02
               136           137           138           139           140 
      1  -0.149473D+00  0.180898D+01 -0.892723D+00  0.108796D+01 -0.256082D+02
      2   0.398311D+01 -0.397808D+01  0.387233D+00 -0.251415D+01  0.414442D+02
      3  -0.383364D+01  0.216910D+01  0.505490D+00  0.142619D+01 -0.158360D+02
      4  -0.222388D+01  0.948598D+01 -0.123260D+01  0.717143D+01 -0.717126D+01
      5   0.806935D+00 -0.311751D+01  0.212116D+01 -0.255108D+01  0.298236D+01
      6  -0.168790D+01  0.232779D+01 -0.117062D+01  0.257850D+01 -0.183763D+02
               141           142           143           144           145 
      1   0.536096D+01 -0.388266D+00  0.189275D+00 -0.466672D+01 -0.127213D+00
      2  -0.461066D+01 -0.450870D+00  0.206075D+01  0.187396D+01 -0.444664D+01
      3  -0.750295D+00  0.839135D+00 -0.225003D+01  0.279276D+01  0.457385D+01
      4   0.167827D+01  0.115685D+00 -0.106746D+01 -0.642567D+00  0.102075D+01
      5  -0.133613D+01  0.902671D+00 -0.396193D+00  0.675113D+00  0.279786D+01
      6   0.965699D+01 -0.782321D+00  0.656053D+01 -0.261895D+01 -0.284495D+00
               146           147           148           149           150 
      1   0.837451D+00 -0.187023D+01  0.136119D+01 -0.388667D+01 -0.452868D+01
      2  -0.334524D+00 -0.267659D+01 -0.780842D+00  0.138910D+00 -0.567306D+01
      3  -0.502927D+00  0.454682D+01 -0.580350D+00  0.374776D+01  0.102017D+02
      4   0.135075D+01 -0.166352D+01 -0.370019D+00  0.645047D-01  0.687931D+00
      5   0.513735D+00  0.860111D+01  0.162543D+01  0.926937D+00  0.195739D+01
      6   0.125793D+01 -0.186563D+01  0.714308D+00  0.253965D+00  0.353296D+01
               151           152           153           154           155 
      1   0.249608D+00  0.505647D+00 -0.264670D+02 -0.329699D+01 -0.360587D+00
      2  -0.248890D+01 -0.300422D+01 -0.212648D+02 -0.354188D+01 -0.147249D+01
      3   0.223929D+01  0.249858D+01  0.477318D+02  0.683888D+01  0.183307D+01
      4  -0.250095D+01  0.801515D+00 -0.141856D+01 -0.593812D+01 -0.228393D+01
      5   0.641165D+01  0.203472D+00  0.858568D+01 -0.223167D+01 -0.148073D+01
      6  -0.105975D+01  0.584058D+01 -0.118888D+02  0.163464D+01 -0.308527D+01
               156           157           158           159           160 
      1   0.108770D+02 -0.263929D+01 -0.393790D+01  0.104911D+01  0.987824D+01
      2   0.206602D+01  0.109425D+01  0.347081D+01  0.293693D+01  0.773040D+00
      3  -0.129430D+02  0.154504D+01  0.467096D+00 -0.398604D+01 -0.106513D+02
      4   0.336734D+01 -0.102884D+01  0.102609D+01  0.938569D+00  0.531342D+01
      5   0.301837D+00 -0.181223D+01 -0.258606D+00 -0.207256D+01  0.424155D+01
      6  -0.588079D+01 -0.123816D+01  0.909014D+00  0.102071D+01 -0.217028D+01
               161           162           163           164           165 
      1   0.520279D+00 -0.145676D+02  0.467057D+02 -0.411671D+01  0.134975D+02
      2   0.255694D+01 -0.863731D+01 -0.308671D+02  0.484291D+01 -0.125813D+02
      3  -0.307722D+01  0.232049D+02 -0.158386D+02 -0.726199D+00 -0.916251D+00
      4   0.251549D+01 -0.461433D+01  0.114784D+02  0.792395D+01  0.489490D+01
      5   0.131982D+00  0.369304D+01  0.282053D+02 -0.103018D+01  0.182033D+02
      6   0.369575D+01  0.772037D+01  0.285857D+01  0.408411D+01  0.314490D+01
               166           167           168           169           170 
      1  -0.105396D+02  0.346029D+01 -0.283486D+01  0.102976D+02 -0.167688D+00
      2   0.808087D+01 -0.728294D-01  0.395353D+01 -0.998509D+01  0.130220D+01
      3   0.245871D+01 -0.338746D+01 -0.111867D+01 -0.312506D+00 -0.113451D+01
      4   0.420352D+01 -0.226915D+00  0.138870D+01  0.376716D+01  0.146353D+01
      5  -0.638263D+01  0.296525D+01 -0.513909D+01  0.154158D+02 -0.163603D+01
      6   0.213458D+01 -0.446995D+00  0.597058D+00  0.191092D+01  0.177337D+01
               171           172           173           174           175 
      1   0.586179D+01  0.228281D+01  0.311959D+01  0.255374D+01  0.190485D+01
      2  -0.958697D+01  0.980474D+00 -0.111131D+01 -0.108054D+01  0.356289D+01
      3   0.372518D+01 -0.326328D+01 -0.200828D+01 -0.147320D+01 -0.546773D+01
      4   0.100001D+01  0.406589D+01  0.721428D+01  0.742465D+00  0.122926D+02
      5   0.112658D+02  0.255974D+01  0.760772D+00  0.166846D+01  0.312562D+01
      6   0.195805D+01  0.110636D+01  0.819379D-01 -0.459409D+00  0.262647D+01
               176           177           178           179           180 
      1  -0.225061D+02 -0.332350D+01  0.704104D+00 -0.504061D+00 -0.370316D+01
      2   0.487156D+02  0.247849D+01 -0.454293D+00 -0.255660D+01  0.342482D+01
      3  -0.262094D+02  0.845015D+00 -0.249811D+00  0.306066D+01  0.278349D+00
      4   0.330731D+02  0.372753D+01 -0.456569D+00 -0.148417D+01  0.172572D+01
      5   0.282999D+01  0.476078D+01  0.157958D+01  0.250775D+01 -0.491169D+00
      6   0.165944D+02  0.937603D+01  0.116745D+00  0.699897D+01  0.724125D+00
 Leave Link  716 at Thu Jul  8 22:23:49 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.913229D+02 -0.151898D+01 -0.235359D+01
      2  -0.151898D+01  0.889195D+02  0.399556D+00
      3  -0.235359D+01  0.399556D+00  0.773615D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.714335D+00  0.410402D+01 -0.348249D+01
      2  -0.126065D+02 -0.184341D+00 -0.171827D+02
      3   0.112505D+02  0.119690D+02  0.117416D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.282255D+02 -0.197284D+02 -0.257303D+02
      2   0.164960D+02  0.214588D+02  0.123809D+01
      3   0.117295D+02 -0.173042D+01  0.244922D+02
      4  -0.255566D+01 -0.231676D+02 -0.174700D+01
      5  -0.227011D+02 -0.157249D+01 -0.356262D+02
      6   0.555347D+00 -0.288682D+01  0.821883D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.357323D+01  0.489186D+01  0.878176D+00  0.467212D+01 -0.158548D+01
      2   0.489186D+01  0.105369D+00 -0.252142D+01 -0.158548D+01 -0.322032D+01
      3   0.878176D+00 -0.252142D+01  0.802008D+00 -0.222161D+01  0.169525D+01
                 6             7             8             9            10 
      1  -0.222161D+01  0.133137D+01 -0.276666D+01 -0.433664D-01  0.288216D+00
      2   0.169525D+01 -0.276666D+01  0.879225D+00  0.206765D+01 -0.402391D+01
      3   0.173436D+01 -0.433664D-01  0.206765D+01  0.102817D+01  0.266188D+01
                11            12            13            14            15 
      1  -0.402391D+01  0.266188D+01 -0.366934D+01  0.555373D+00  0.728107D+00
      2  -0.403830D+00  0.647109D+00  0.555373D+00  0.305409D+01 -0.151148D+01
      3   0.647109D+00 -0.267074D+01  0.728107D+00 -0.151148D+01 -0.241182D+01
                16            17            18            19            20 
      1   0.415677D+01  0.528363D+00 -0.323859D+01 -0.303899D+01  0.328334D+01
      2   0.528363D+00 -0.158144D+01 -0.350002D+01  0.328334D+01 -0.293020D+00
      3  -0.323859D+01 -0.350002D+01 -0.321872D+01 -0.187281D+01 -0.185177D+00
                21            22            23            24            25 
      1  -0.187281D+01  0.243306D+01  0.909421D+00 -0.154140D+00 -0.225832D+01
      2  -0.185177D+00  0.909421D+00 -0.780803D+01  0.538984D+00  0.199209D-01
      3   0.177432D+01 -0.154140D+00  0.538984D+00  0.214198D+01  0.180990D+01
                26            27            28            29            30 
      1   0.199209D-01  0.180990D+01  0.601486D+01 -0.364437D+01  0.294798D+01
      2  -0.705343D+00  0.203469D+01 -0.364437D+01  0.626441D-01 -0.946801D-01
      3   0.203469D+01  0.595359D+01  0.294798D+01 -0.946801D-01 -0.108113D+01
                31            32            33            34            35 
      1  -0.335496D+01 -0.234389D+00  0.724240D-01  0.412772D+01 -0.273096D+00
      2  -0.234389D+00  0.452104D+01 -0.320556D+00 -0.273096D+00 -0.788550D+00
      3   0.724240D-01 -0.320556D+00 -0.274428D+01 -0.605357D+00 -0.376791D+01
                36            37            38            39            40 
      1  -0.605357D+00 -0.412964D+01  0.307649D+01 -0.373495D+01  0.402697D+01
      2  -0.376791D+01  0.307649D+01  0.972950D+00  0.116958D+00  0.912966D+00
      3  -0.581279D+01 -0.373495D+01  0.116958D+00  0.271609D+01 -0.965418D-01
                41            42            43            44            45 
      1   0.912966D+00 -0.965418D-01 -0.462419D+01 -0.775100D-01  0.354431D+01
      2  -0.504109D+01 -0.289322D-01 -0.775100D-01  0.493608D+00  0.391871D+01
      3  -0.289322D-01  0.338742D+01  0.354431D+01  0.391871D+01  0.148372D+01
                46            47            48            49            50 
      1   0.441994D+01 -0.295186D+01  0.171102D+01 -0.208102D+01 -0.182975D+01
      2  -0.295186D+01 -0.193145D+01  0.705988D+00 -0.182975D+01  0.751209D+01
      3   0.171102D+01  0.705988D+00 -0.139990D+01  0.343390D+00 -0.287190D+00
                51            52            53            54            55 
      1   0.343390D+00  0.139874D+01  0.250120D+00 -0.848323D+00  0.111703D+02
      2  -0.287190D+00  0.250120D+00  0.927411D+00 -0.246634D+01 -0.492239D+01
      3  -0.295863D+01 -0.848323D+00 -0.246634D+01 -0.539038D+01 -0.268894D+01
                56            57            58            59            60 
      1  -0.492239D+01 -0.268894D+01 -0.500720D+01  0.442467D+01  0.160538D+01
      2   0.275429D+01  0.137952D+01  0.442467D+01 -0.413066D+01 -0.205207D+01
      3   0.137952D+01  0.136065D+01  0.160538D+01 -0.205207D+01 -0.163612D+01
                61            62            63            64            65 
      1  -0.355921D+01  0.209313D+01  0.334711D+01  0.571722D+01  0.251702D+01
      2   0.209313D+01 -0.173975D+01 -0.270133D+01  0.251702D+01  0.211773D+01
      3   0.334711D+01 -0.270133D+01 -0.331990D+01 -0.240094D+01 -0.100664D+01
                66            67            68            69            70 
      1  -0.240094D+01  0.176892D+01  0.163264D+01 -0.541980D+00 -0.353090D+01
      2  -0.100664D+01  0.163264D+01  0.150170D+01 -0.901062D+00 -0.136843D+01
      3   0.188340D+01 -0.541980D+00 -0.901062D+00  0.968044D+00  0.242594D+01
                71            72            73            74            75 
      1  -0.136843D+01  0.242594D+01  0.795477D+00  0.157121D+01  0.968568D+00
      2  -0.161806D+01  0.173082D+01  0.157121D+01  0.573728D+00  0.506055D+00
      3   0.173082D+01 -0.243383D+01  0.968568D+00  0.506055D+00  0.955249D+00
                76            77            78            79            80 
      1   0.143556D+01  0.684334D+00  0.537925D+00  0.174991D+01  0.843300D+00
      2   0.684334D+00  0.226056D+01  0.189580D+01  0.843300D+00  0.334482D+01
      3   0.537925D+00  0.189580D+01  0.198133D+01  0.197172D+01  0.276716D+01
                81            82            83            84            85 
      1   0.197172D+01 -0.296714D+00 -0.447706D+00 -0.838824D+00 -0.828304D+00
      2   0.276716D+01 -0.447706D+00 -0.146440D+00  0.744893D-01 -0.422060D+00
      3   0.554186D+01 -0.838824D+00  0.744893D-01 -0.841866D+00 -0.193457D+00
                86            87            88            89            90 
      1  -0.422060D+00 -0.193457D+00 -0.150023D+01 -0.106430D+00 -0.118739D+01
      2   0.265063D+00 -0.101322D+01 -0.106430D+00 -0.125021D+01  0.261745D+00
      3  -0.101322D+01 -0.117363D+01 -0.118739D+01  0.261745D+00 -0.776525D+01
                91            92            93            94            95 
      1  -0.136577D+00  0.122137D+01  0.161544D+00  0.148928D+01 -0.988588D+00
      2   0.122137D+01 -0.725141D+00  0.603778D-01 -0.988588D+00  0.121053D+02
      3   0.161544D+00  0.603778D-01 -0.340194D+00  0.971492D-01 -0.124013D+01
                96            97            98            99           100 
      1   0.971492D-01  0.432817D+00 -0.142507D-01 -0.373257D+00 -0.938313D+01
      2  -0.124013D+01 -0.142507D-01  0.139364D+00  0.111095D+01  0.288384D+01
      3   0.923569D+00 -0.373257D+00  0.111095D+01 -0.774801D+00 -0.115561D+01
               101           102           103           104           105 
      1   0.288384D+01 -0.115561D+01  0.209195D+01 -0.192717D+01  0.133327D+00
      2  -0.227325D+01  0.265434D+00 -0.192717D+01  0.110321D+01 -0.346223D+00
      3   0.265434D+00 -0.105273D+01  0.133327D+00 -0.346223D+00  0.649812D+00
               106           107           108           109           110 
      1  -0.248000D+01  0.728205D+00 -0.131859D+01 -0.439143D+00  0.930347D+00
      2   0.728205D+00 -0.918012D+00  0.972103D+00  0.930347D+00  0.304270D+00
      3  -0.131859D+01  0.972103D+00 -0.301122D+00  0.710410D+00  0.800288D-01
               111           112           113           114           115 
      1   0.710410D+00  0.907867D+00 -0.129659D+00 -0.345026D+00  0.109360D+01
      2   0.800288D-01 -0.129659D+00  0.158152D+01  0.195570D+01 -0.276569D+00
      3   0.489811D+00 -0.345026D+00  0.195570D+01  0.231021D+01 -0.841973D+00
               116           117           118           119           120 
      1  -0.276569D+00 -0.841973D+00  0.461599D+01 -0.213465D+01  0.390113D+01
      2   0.282840D+01  0.303633D+01 -0.213465D+01 -0.473867D+00 -0.489401D+00
      3   0.303633D+01  0.761675D+01  0.390113D+01 -0.489401D+00 -0.166073D+01
               121           122           123           124           125 
      1  -0.290079D+01  0.315822D+00 -0.894041D+00  0.333095D+01 -0.531726D+00
      2   0.315822D+00  0.739221D+01 -0.272022D+00 -0.531726D+00 -0.151869D+01
      3  -0.894041D+00 -0.272022D+00 -0.266644D+01 -0.241921D+01 -0.295094D+01
               126           127           128           129           130 
      1  -0.241921D+01 -0.499185D+01 -0.195484D+01  0.307946D+01 -0.199027D+01
      2  -0.295094D+01 -0.195484D+01 -0.162644D+01  0.778867D+00 -0.175175D+01
      3  -0.662932D+00  0.307946D+01  0.778867D+00 -0.292158D+01  0.831670D+00
               131           132           133           134           135 
      1  -0.175175D+01  0.831670D+00  0.348965D+01  0.961918D+00 -0.313337D+01
      2  -0.113674D+01  0.128497D+01  0.961918D+00  0.137783D+01 -0.178327D+01
      3   0.128497D+01 -0.169008D+01 -0.313337D+01 -0.178327D+01  0.404939D+01
               136           137           138           139           140 
      1   0.227184D+00 -0.110351D+01 -0.108540D+00 -0.148009D+01  0.997558D+00
      2  -0.110351D+01  0.122317D+01 -0.339591D+00  0.997558D+00 -0.948816D+01
      3  -0.108540D+00 -0.339591D+00  0.281009D+00 -0.351021D+00  0.150068D+01
               141           142           143           144           145 
      1  -0.351021D+00 -0.390307D+00 -0.179631D-01  0.239926D+00 -0.394666D+00
      2   0.150068D+01 -0.179631D-01 -0.324883D+00 -0.914751D+00  0.523294D+00
      3  -0.128553D+01  0.239926D+00 -0.914751D+00  0.857068D+00  0.107594D+01
               146           147           148           149           150 
      1   0.523294D+00  0.107594D+01  0.123016D+01  0.354236D+00  0.420964D-01
      2   0.226965D+00 -0.166251D+00  0.354236D+00 -0.264850D-01  0.113051D+01
      3  -0.166251D+00  0.105985D+01  0.420964D-01  0.113051D+01  0.183122D+01
               151           152           153           154           155 
      1   0.149974D+01  0.927890D-01  0.849449D+00  0.208883D+01  0.749508D+00
      2   0.927890D-01  0.123073D+01  0.324406D+00  0.749508D+00  0.106150D+01
      3   0.849449D+00  0.324406D+00  0.930965D+01 -0.155962D+01  0.137824D+00
               156           157           158           159           160 
      1  -0.155962D+01  0.828388D+00  0.503060D+00 -0.653095D-01 -0.194012D+01
      2   0.137824D+00  0.503060D+00 -0.368177D+00 -0.525137D+00 -0.306333D+00
      3   0.272617D+01 -0.653095D-01 -0.525137D+00  0.946212D+00  0.143141D+01
               161           162           163           164           165 
      1  -0.306333D+00  0.143141D+01 -0.819345D+01  0.369991D+00 -0.328610D+01
      2  -0.100621D+01  0.258197D+00  0.369991D+00 -0.142989D+01 -0.292605D-01
      3   0.258197D+00 -0.450036D+01 -0.328610D+01 -0.292605D-01 -0.229227D+01
               166           167           168           169           170 
      1   0.182538D+01 -0.993723D+00  0.809474D+00 -0.223061D+01  0.155052D+00
      2  -0.993723D+00 -0.392034D-01 -0.370255D+00  0.155052D+00 -0.218916D+00
      3   0.809474D+00 -0.370255D+00  0.103641D+01 -0.172371D+01  0.303977D+00
               171           172           173           174           175 
      1  -0.172371D+01 -0.760650D+00 -0.835006D+00 -0.449764D+00 -0.139768D+01
      2   0.303977D+00 -0.835006D+00 -0.992858D-01  0.797677D-01 -0.142751D+01
      3  -0.167258D+01 -0.449764D+00  0.797677D-01  0.212588D+00 -0.337814D+00
               176           177           178           179           180 
      1  -0.142751D+01 -0.337814D+00 -0.973816D-01  0.661772D-01  0.113372D+00
      2  -0.100380D+02 -0.113362D+01  0.661772D-01  0.448685D+00 -0.702177D+00
      3  -0.113362D+01 -0.134402D+01  0.113372D+00 -0.702177D+00  0.124581D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.740606D+01  0.951736D+01 -0.250843D+01  0.834624D+01 -0.135296D+01
      2  -0.885103D+01 -0.988170D+01 -0.788334D+00 -0.832158D+01  0.169849D+01
      3  -0.547474D+01 -0.842201D+01  0.344863D+01  0.118781D+01 -0.147647D+00
                 6             7             8             9            10 
      1   0.668883D+01 -0.114283D+01  0.149077D+02 -0.433804D+01 -0.689729D+01
      2  -0.803818D-01 -0.116137D+02 -0.182334D+01  0.117622D+02  0.863878D+01
      3  -0.734766D+01  0.135409D+01 -0.106858D+02  0.170052D+01  0.130729D+02
                11            12            13            14            15 
      1  -0.287275D+00  0.277850D+01 -0.279581D+01  0.171474D+01 -0.113822D+01
      2   0.156270D+01 -0.275007D+01  0.225787D+01 -0.252926D+01 -0.256900D+01
      3  -0.781488D+01  0.284700D+01 -0.620472D+00 -0.517897D+01  0.448410D+01
                16            17            18            19            20 
      1   0.306517D+01  0.858732D+01  0.642390D+01  0.521549D+01 -0.153333D+01
      2  -0.825285D+01 -0.412005D+01 -0.559435D+01 -0.111228D+01  0.162127D+01
      3   0.433963D+01  0.304663D+01 -0.269775D+00 -0.791988D+01  0.919204D+01
                21            22            23            24            25 
      1  -0.265475D+01  0.133467D+01  0.262898D+01 -0.707501D+01 -0.299902D+01
      2   0.154253D-01 -0.316745D+00  0.345712D+01 -0.103264D+01 -0.546185D+01
      3  -0.550220D+01  0.991919D+01  0.141391D+01 -0.192883D+01 -0.579185D+01
                26            27            28            29            30 
      1  -0.121978D+01 -0.125789D+02 -0.557985D+01  0.355492D+00  0.130324D+01
      2  -0.226655D+00  0.418302D+00 -0.102085D+02  0.131860D+01  0.255824D+01
      3  -0.167351D+01  0.358146D+01  0.221619D+00 -0.864864D+01  0.386046D+01
                31            32            33            34            35 
      1   0.720170D+00  0.384309D+01  0.201835D+01  0.532799D+00  0.743784D+01
      2   0.138041D+01  0.697289D+00  0.463125D+01 -0.378781D+01  0.600251D+01
      3  -0.243625D+01  0.763355D+01  0.115109D+00  0.495912D+01 -0.125329D+01
                36            37            38            39            40 
      1   0.510928D+01 -0.630766D+00  0.425352D+00  0.103239D+01  0.840011D+00
      2   0.831663D+01  0.137795D+02 -0.112843D+01  0.141121D+01 -0.603943D+01
      3  -0.608160D+01  0.812809D+01 -0.488991D+01  0.260378D+01 -0.721645D+00
                41            42            43            44            45 
      1  -0.362561D+01 -0.108397D+01 -0.881787D+00  0.655958D+01  0.259531D+01
      2  -0.179168D+01 -0.334497D+01 -0.199484D+01 -0.438801D+01 -0.275276D+01
      3  -0.100871D+02  0.139558D+01  0.487464D+01  0.123274D+01  0.286115D+01
                46            47            48            49            50 
      1  -0.613989D+00 -0.358885D+01 -0.236196D+01 -0.329621D+01  0.825481D+01
      2  -0.841317D+01  0.484758D+01  0.270239D+00  0.579254D+01  0.159803D+01
      3  -0.347095D+01  0.482478D+01 -0.258414D+01  0.107898D+02 -0.274143D+01
                51            52            53            54            55 
      1  -0.812271D+01  0.144687D+00 -0.125431D+01 -0.833462D+01 -0.439761D+01
      2   0.174296D+01 -0.877097D+01  0.433056D+00 -0.229482D+01 -0.264090D+01
      3   0.116390D+01 -0.355660D+01  0.951307D+00  0.103800D+01  0.131754D+01
                56            57            58            59            60 
      1  -0.435146D+01  0.372333D+01 -0.133912D+01  0.150911D+00 -0.709335D+01
      2   0.420265D+01  0.918034D+01  0.413300D+01 -0.350539D+01 -0.376600D+01
      3  -0.824512D+01 -0.934941D+00  0.805712D+00  0.960846D+01  0.334732D+01
                61            62            63            64            65 
      1   0.115090D+01 -0.120690D+01 -0.604748D+00  0.310098D+01  0.106922D+01
      2   0.450594D+01 -0.123819D+01 -0.103048D+02 -0.223554D+01 -0.224375D+01
      3   0.717480D+00  0.815200D+01  0.107836D+01  0.501298D+01 -0.274015D+01
                66            67            68            69            70 
      1  -0.338410D+01  0.136748D+01  0.117430D+01 -0.272401D+01 -0.354171D+01
      2   0.501602D+01 -0.647446D+00 -0.106180D+01  0.201088D+01  0.220836D+01
      3  -0.154117D+01  0.193099D+01  0.464226D+00  0.257297D-01 -0.359287D+01
                71            72            73            74            75 
      1  -0.471880D+00  0.366986D+01 -0.132073D+01 -0.876862D+00 -0.188024D+01
      2   0.243511D+01 -0.470123D+01  0.110942D+01  0.865147D+00  0.290017D+01
      3   0.155386D+01  0.510093D+00 -0.122370D+01  0.840112D+00  0.646472D+00
                76            77            78            79            80 
      1  -0.672191D+00 -0.141480D+01 -0.390219D+01 -0.293095D+01 -0.377720D+01
      2   0.415999D+00  0.207742D+01  0.291349D+01  0.103118D+01  0.531049D+01
      3   0.278152D+01 -0.209975D+01 -0.177573D+01  0.246986D+01 -0.249983D+01
                81            82            83            84            85 
      1  -0.936979D+01  0.176611D+01  0.833226D+00  0.196595D+01  0.118370D+01
      2   0.919340D+01 -0.571226D-01 -0.496405D+00  0.766550D+00 -0.151791D+01
      3  -0.313528D+00 -0.603595D+00 -0.305403D+01 -0.144413D+01 -0.165726D+01
                86            87            88            89            90 
      1   0.283607D+01  0.304360D+01  0.255089D+01  0.426805D+01  0.156121D+02
      2  -0.582559D+00 -0.136367D-01 -0.371191D+01 -0.490069D+00  0.766820D+00
      3  -0.227081D+00 -0.287182D+00 -0.286899D+01 -0.841099D+00 -0.186823D+01
                91            92            93            94            95 
      1  -0.960485D+00  0.272112D+00  0.512544D+00 -0.317229D+00 -0.202473D+01
      2  -0.150486D-01  0.434343D+00  0.114163D+01  0.187667D+01 -0.158536D+01
      3   0.225369D-01  0.823129D+00  0.870062D+00  0.725229D+01  0.115210D+00
                96            97            98            99           100 
      1  -0.437715D+01  0.350921D+00 -0.910381D+00  0.156983D+01  0.314130D+01
      2  -0.308940D+00 -0.220310D+00 -0.606132D+00 -0.230849D+00  0.607879D+01
      3  -0.338983D+00  0.161425D+01 -0.466047D+00 -0.554272D+00 -0.783685D+01
               101           102           103           104           105 
      1  -0.112562D+01  0.230432D+01 -0.118325D+01  0.908041D+00 -0.201764D+01
      2  -0.204787D+01  0.529896D+01 -0.101308D+01  0.141224D+01 -0.189151D+01
      3  -0.414818D+01 -0.866033D+00  0.111057D+01 -0.258787D+00 -0.562167D+00
               106           107           108           109           110 
      1   0.201675D+01 -0.422883D+00  0.112413D+01  0.109370D+00  0.679497D+00
      2   0.232297D+01 -0.218183D+01  0.174311D+01 -0.733033D+00 -0.642104D+00
      3  -0.269004D+01 -0.187198D+01  0.196782D+00  0.127692D+01  0.101447D+01
               111           112           113           114           115 
      1  -0.914825D+00  0.341253D+00 -0.541688D+00 -0.308277D+01  0.781383D+00
      2  -0.691832D-01 -0.748564D+00 -0.289847D+01 -0.322816D+01 -0.243609D+01
      3   0.657848D+00  0.286106D+01  0.183444D+01  0.243094D+01  0.193757D+01
               116           117           118           119           120 
      1   0.153702D+01 -0.792178D+01  0.904781D+01 -0.170175D+00 -0.281657D+01
      2  -0.420692D+01 -0.112216D+02 -0.300563D+01 -0.767009D+00  0.120315D+02
      3   0.424951D+01  0.327863D+01 -0.108848D+02  0.347998D+00 -0.723011D+01
               121           122           123           124           125 
      1  -0.299499D+01 -0.106309D+02 -0.711866D+01 -0.303422D+01 -0.186996D+01
      2  -0.720676D+00  0.104070D+01  0.428442D+01  0.733631D+01  0.520285D+01
      3   0.676246D+01  0.134877D+02  0.400129D+00 -0.610590D+01 -0.176303D+01
               126           127           128           129           130 
      1   0.325551D+01 -0.789496D-01 -0.203972D+01 -0.129401D+01 -0.126580D+01
      2  -0.156853D+01  0.518248D+00  0.250916D+00  0.334700D+01  0.141750D+01
      3  -0.211390D+01  0.968411D+00 -0.355591D+01 -0.127708D+01  0.528293D+00
               131           132           133           134           135 
      1  -0.690138D+00 -0.144120D+01  0.862724D-01  0.187721D+01  0.888893D+00
      2  -0.319987D+00  0.254180D+01 -0.175630D+01  0.180990D+01 -0.362169D+01
      3  -0.103912D+01  0.145975D+01 -0.284345D+01  0.262253D+01 -0.323449D+00
               136           137           138           139           140 
      1  -0.779665D+00  0.583350D+00  0.193983D+00  0.350290D+00 -0.965159D+01
      2  -0.721588D+00  0.884797D+00  0.136092D+01  0.208695D+01 -0.806346D+00
      3  -0.109826D+01 -0.979698D+00  0.739082D+00  0.535051D+01  0.209077D+01
               141           142           143           144           145 
      1  -0.286119D+01  0.520555D+00 -0.215861D+00 -0.267975D+00  0.125549D+01
      2  -0.318570D+00 -0.444394D+00 -0.227297D+00 -0.119300D+00  0.111157D+01
      3   0.229423D+00  0.761875D+00  0.804876D+00  0.165091D+00  0.883356D+00
               146           147           148           149           150 
      1   0.292555D+00  0.227138D+01 -0.386675D+00  0.133059D+01  0.367907D+01
      2  -0.557460D+00 -0.851505D+00 -0.182106D+01 -0.341812D-01 -0.357535D+00
      3  -0.178653D+01 -0.160391D+01 -0.161306D+00 -0.290404D+00 -0.923693D+00
               151           152           153           154           155 
      1   0.735209D+00  0.442569D+01  0.119828D+02 -0.410888D+01 -0.294364D+01
      2  -0.359988D+01  0.326395D+00  0.296515D-01  0.790829D+01  0.156616D+01
      3  -0.133568D+01 -0.440354D+00 -0.216408D+01 -0.214018D+01 -0.759349D+00
               156           157           158           159           160 
      1   0.419189D+01 -0.148116D+01 -0.147138D+01  0.152080D+01  0.360110D+01
      2  -0.587915D+01  0.205997D+01  0.196514D+01 -0.176275D+01 -0.811020D+01
      3   0.236298D+01  0.367570D+00 -0.110316D+01 -0.659949D+00  0.221530D+01
               161           162           163           164           165 
      1   0.425405D+01 -0.686126D+01 -0.545563D+01  0.265709D+01 -0.284739D+01
      2  -0.161904D+01  0.911596D+01 -0.300975D+01  0.982747D+00  0.381982D+01
      3  -0.354542D+00 -0.199857D+01  0.109820D+02 -0.634301D+01  0.401271D+01
               166           167           168           169           170 
      1   0.181079D+01 -0.964608D+00  0.849645D+00 -0.232954D+01  0.199326D+01
      2   0.724622D+00 -0.148804D+00 -0.182930D+01 -0.161385D+01 -0.631827D+00
      3  -0.323310D+01  0.194493D+01 -0.126835D+01  0.349407D+01 -0.127620D+01
               171           172           173           174           175 
      1  -0.256571D+01 -0.218749D+00  0.231679D+00  0.384759D+00  0.614202D+00
      2   0.216813D+01  0.682623D+00 -0.570762D+00 -0.944624D-01 -0.999047D+00
      3   0.292579D+01 -0.474233D+00 -0.121510D+00  0.733427D+00  0.284719D+01
               176           177           178           179           180 
      1   0.932541D+01 -0.444751D+01  0.564243D+00 -0.321223D-01  0.812439D+00
      2   0.131740D+01  0.237857D+01 -0.129472D+01  0.997748D+00  0.720846D-01
      3  -0.161784D+02 -0.113577D+01  0.475177D-01  0.512195D+00 -0.164847D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.222404D+02  0.136065D+02 -0.191709D+01  0.205719D+02 -0.746520D+01
      2   0.833466D+01 -0.397521D+01 -0.356912D+01 -0.145239D+02  0.785300D+00
      3   0.139057D+02 -0.963131D+01  0.548621D+01 -0.604796D+01  0.667990D+01
      4   0.250877D+02 -0.116576D+02 -0.820799D+01 -0.162335D+02 -0.321650D+00
      5   0.916558D+01 -0.569427D+01 -0.341014D+01 -0.897046D+01  0.525130D+01
      6  -0.423531D+01  0.781589D+01  0.198783D+01  0.774384D+00 -0.466681D+01
                 6             7             8             9            10 
      1  -0.852036D+01  0.130573D+02 -0.957097D+01 -0.225214D+01  0.199844D+00
      2   0.426278D+01 -0.623088D+01  0.176508D+01 -0.319773D+01 -0.311353D+01
      3   0.425757D+01 -0.682639D+01  0.780590D+01  0.544987D+01  0.291369D+01
      4   0.378533D+01 -0.124884D+02  0.112331D+02  0.996152D+01 -0.996347D+01
      5   0.800021D+01  0.228516D+01  0.544769D+01  0.128205D+02  0.105327D+02
      6  -0.762754D+01  0.352855D+01 -0.242495D+01  0.654490D+00  0.962843D+01
                11            12            13            14            15 
      1  -0.871292D+01  0.947856D+01 -0.716575D+01 -0.298817D+01  0.545780D+01
      2   0.544124D+01 -0.492730D+01  0.447019D+01  0.126913D+02 -0.342893D+01
      3   0.327168D+01 -0.455126D+01  0.269556D+01 -0.970308D+01 -0.202886D+01
      4  -0.970222D+01  0.860837D+01 -0.207001D+01  0.266967D-01 -0.262164D+01
      5   0.609576D+01 -0.105643D+02  0.411745D+01 -0.162751D+01 -0.859547D+01
      6  -0.166322D+01 -0.701606D+01  0.148234D+01 -0.209364D+01 -0.577471D+01
                16            17            18            19            20 
      1   0.879618D+01  0.904564D+01 -0.124718D+00 -0.590957D+01 -0.192920D+01
      2  -0.429469D+01 -0.499436D+01 -0.158154D+01  0.794878D+01  0.335989D+01
      3  -0.450149D+01 -0.405128D+01  0.170626D+01 -0.203922D+01 -0.143068D+01
      4   0.102254D+02 -0.620027D+01 -0.187414D+02 -0.543155D+01  0.235595D+00
      5  -0.122156D+02 -0.125887D+02 -0.714153D+01  0.195598D+01 -0.173206D+01
      6  -0.988905D+01 -0.139568D+02 -0.132669D+02 -0.785927D+01 -0.215697D+00
                21            22            23            24            25 
      1   0.233395D+01 -0.173480D+01  0.261861D+02  0.399588D+00  0.313205D+01
      2  -0.159950D+00  0.493212D+01 -0.483673D+02  0.487891D+01  0.398090D+00
      3  -0.217400D+01 -0.319732D+01  0.221812D+02 -0.527850D+01 -0.353014D+01
      4  -0.464726D+01  0.588016D+01  0.104577D+02 -0.146101D+01 -0.491233D+01
      5  -0.146151D+01  0.586654D-01 -0.925951D+00 -0.895379D+00  0.830861D+00
      6   0.521772D+01 -0.206960D+01  0.795304D+01  0.770980D+01  0.418282D+01
                26            27            28            29            30 
      1   0.774180D+00  0.433977D+01 -0.228117D+02  0.144867D+02 -0.999186D+01
      2  -0.840420D+00  0.121598D+02  0.474455D+01 -0.809917D+01  0.668652D+01
      3   0.662399D-01 -0.164995D+02  0.180671D+02 -0.638750D+01  0.330534D+01
      4   0.121532D+01  0.280808D+01  0.205805D+02 -0.692991D+01  0.604875D+01
      5  -0.596317D+00 -0.454415D+01 -0.970100D+01  0.607643D+00  0.407185D+01
      6   0.764813D+01  0.167527D+02  0.360075D+01  0.880640D+00 -0.338133D+01
                31            32            33            34            35 
      1   0.974165D+01 -0.259040D+01  0.544567D+01 -0.118402D+02  0.626472D+01
      2  -0.536024D+01  0.878563D+01  0.146605D+01  0.621819D+01  0.401970D+01
      3  -0.438140D+01 -0.619522D+01 -0.691172D+01  0.562204D+01 -0.102844D+02
      4  -0.841233D+01 -0.785494D+01  0.871259D+00  0.976434D+01  0.350546D+01
      5   0.880173D-01 -0.250189D+01  0.631610D+01  0.143010D+01  0.927748D+01
      6  -0.624820D+00 -0.205658D+01 -0.958524D+01  0.532095D+00 -0.952888D+01
                36            37            38            39            40 
      1   0.110968D+02  0.119142D+01 -0.857281D+01  0.142628D+02 -0.574200D+01
      2  -0.643930D-01  0.177184D+01  0.531358D+01 -0.969696D+01  0.423282D+01
      3  -0.110324D+02 -0.296326D+01  0.325922D+01 -0.456580D+01  0.150919D+01
      4   0.100490D+02 -0.667543D+01 -0.559283D+01  0.627306D+01 -0.759418D+01
      5   0.124665D+02  0.174741D+02  0.569034D+01 -0.144504D+02  0.236041D+01
      6  -0.199024D+02  0.920488D+01 -0.320830D+00 -0.584040D+01  0.292336D+01
                41            42            43            44            45 
      1  -0.514958D+01 -0.811896D+00  0.108369D+02  0.228067D+01 -0.100975D+02
      2   0.706966D+01 -0.612961D+00 -0.862429D+01 -0.599947D+01  0.324572D+01
      3  -0.192008D+01  0.142486D+01 -0.221259D+01  0.371880D+01  0.685175D+01
      4   0.625151D+01  0.166976D+01  0.404650D+01 -0.323101D+01 -0.164721D+02
      5   0.409196D+01 -0.105126D+02 -0.158849D+02 -0.135975D+02  0.318069D+01
      6  -0.290176D+00 -0.705441D+01 -0.911971D+01 -0.596805D+01  0.127693D+01
                46            47            48            49            50 
      1   0.366469D+00 -0.544381D+01  0.296151D+01 -0.207520D+01  0.141278D+02
      2  -0.119524D+01  0.708696D+01  0.359736D+01  0.359395D+01 -0.259288D+02
      3   0.828769D+00 -0.164315D+01 -0.655887D+01 -0.151875D+01  0.118010D+02
      4  -0.641640D+01  0.715910D+00 -0.853581D+00  0.329998D+01  0.848725D+01
      5  -0.387330D+01 -0.933987D+00  0.286903D+01 -0.792749D+00 -0.261900D+01
      6  -0.602342D+01 -0.438378D+01  0.282138D+01 -0.253458D+01  0.961495D+01
                51            52            53            54            55 
      1   0.603998D+01 -0.283189D+01  0.526183D+01  0.153787D+02  0.599562D+02
      2   0.718802D+01  0.205060D+01  0.175124D+01  0.131341D+02 -0.275111D+02
      3  -0.132280D+02  0.781288D+00 -0.701307D+01 -0.285127D+02 -0.324451D+02
      4  -0.464525D+00 -0.278301D+00 -0.279595D+00 -0.408719D+00 -0.358611D+02
      5   0.755172D+00  0.373676D+01 -0.692253D+00 -0.647335D+01 -0.137876D+02
      6   0.496334D+01  0.712192D+00  0.544829D+01  0.247368D+01  0.546844D+01
                56            57            58            59            60 
      1  -0.171752D+02 -0.842220D+01 -0.191210D+02  0.874665D+01  0.223789D+01
      2   0.415444D+01  0.698850D+01  0.555661D+01  0.508314D+01 -0.270743D+00
      3   0.130208D+02  0.143370D+01  0.135644D+02 -0.138298D+02 -0.196714D+01
      4   0.263562D+02  0.760949D+01  0.306355D+02 -0.245677D+02 -0.826949D+01
      5   0.558814D+01  0.157954D+02  0.792712D+01 -0.694573D+01 -0.984272D+01
      6  -0.375133D+01 -0.599866D+01 -0.430334D+01  0.828975D+01  0.108619D+02
                61            62            63            64            65 
      1  -0.120369D+02  0.381317D+01  0.528812D+01  0.209006D+02  0.567477D+01
      2   0.935374D+01 -0.349411D+00 -0.828536D+01 -0.872901D+01  0.457700D+00
      3   0.268312D+01 -0.346376D+01  0.299723D+01 -0.121716D+02 -0.613248D+01
      4   0.125425D+02 -0.953762D+01 -0.130227D+02  0.230285D+02  0.156329D+02
      5   0.200597D+02 -0.115466D+02 -0.189245D+02 -0.135064D+02 -0.564230D+01
      6  -0.830023D+01  0.120646D+02  0.750327D+01 -0.750340D+01 -0.407098D+01
                66            67            68            69            70 
      1  -0.699718D+01  0.132421D+01 -0.100216D+00  0.710901D+00 -0.840504D+01
      2   0.412144D+01  0.374054D+01  0.463533D+01 -0.264158D+01  0.512401D+01
      3   0.287574D+01 -0.506474D+01 -0.453512D+01  0.193068D+01  0.328103D+01
      4  -0.940166D+01  0.122453D+02  0.106385D+02 -0.523045D+01 -0.135482D+02
      5   0.110478D+02 -0.294364D+01 -0.448197D+01  0.370315D+01  0.128180D+02
      6   0.637141D+01 -0.378108D+01 -0.500866D+01  0.620161D+01  0.787727D+01
                71            72            73            74            75 
      1  -0.109487D+01  0.169168D+01  0.121007D+01  0.321174D+01  0.185462D+01
      2  -0.163791D+01 -0.362411D+01  0.694001D-01 -0.105411D+01 -0.185163D+01
      3   0.273278D+01  0.193242D+01 -0.127947D+01 -0.215763D+01 -0.298869D-02
      4  -0.924651D+01  0.108772D+02  0.709199D+01  0.759619D+01  0.509340D+01
      5   0.749339D+01 -0.117176D+02  0.510709D+01  0.277981D+01  0.730493D+01
      6   0.778950D+01 -0.789228D+01  0.403028D+01  0.277016D+01  0.355270D+01
                76            77            78            79            80 
      1   0.154046D+01 -0.620878D+01 -0.430712D+01  0.294766D+01 -0.688511D+01
      2   0.551061D+00  0.790074D+01  0.469369D+01 -0.243321D+01  0.643520D+01
      3  -0.209153D+01 -0.169195D+01 -0.386571D+00 -0.514449D+00  0.449909D+00
      4   0.688816D+01  0.891716D+01  0.721122D+01  0.824269D+01  0.133728D+02
      5   0.198987D+01  0.584564D+01  0.574316D+01  0.970503D+01  0.993828D+01
      6   0.341658D+01  0.967661D+01  0.112932D+02  0.742142D+01  0.152363D+02
                81            82            83            84            85 
      1  -0.695366D+01  0.166090D+01  0.445117D+00 -0.265310D+00  0.513421D-01
      2  -0.157822D+01 -0.474046D+01 -0.105341D+01 -0.102626D+01 -0.144786D+01
      3   0.853187D+01  0.307955D+01  0.608297D+00  0.129157D+01  0.139652D+01
      4   0.139060D+02 -0.719358D+00  0.191491D+01 -0.173348D+01 -0.429069D+00
      5   0.180004D+02  0.225036D+01  0.445763D+00  0.740220D+01  0.592153D+00
      6   0.215377D+02 -0.145916D+01  0.110461D+01 -0.279260D+01  0.544641D+00
                86            87            88            89            90 
      1  -0.312875D+01 -0.663692D-01 -0.133966D+01  0.313855D+01 -0.161893D+02
      2   0.303244D+01 -0.471386D+01 -0.241889D+01 -0.442768D+01 -0.140220D+02
      3   0.963156D-01  0.478023D+01  0.375855D+01  0.128913D+01  0.302113D+02
      4  -0.803769D+00  0.104476D+01 -0.357390D+01  0.176248D+01 -0.179980D+01
      5   0.988929D+00  0.932896D+00  0.537804D+01  0.513209D-02  0.731143D+01
      6  -0.226021D+01  0.111581D-01 -0.302772D+01  0.584657D+01 -0.222079D+02
                91            92            93            94            95 
      1  -0.193395D+01  0.133238D+01 -0.430189D+00  0.254091D+01 -0.417879D+02
      2   0.642454D+01 -0.382707D+01  0.157866D+00 -0.509365D+01  0.744125D+02
      3  -0.449058D+01  0.249469D+01  0.272323D+00  0.255273D+01 -0.326246D+02
      4  -0.198684D+01  0.108389D+02 -0.513873D+00  0.934361D+01 -0.113775D+02
      5   0.702732D-01 -0.165124D+01  0.187021D+01 -0.142835D+01  0.226377D+01
      6  -0.133007D+00  0.589333D+00 -0.901821D+00  0.110253D+01 -0.135727D+02
                96            97            98            99           100 
      1   0.465423D+01 -0.243823D+00  0.318108D+00 -0.515567D+01  0.448244D+02
      2  -0.610471D+01 -0.366215D+00  0.102295D+01  0.477405D+01 -0.185326D+02
      3   0.145048D+01  0.610038D+00 -0.134106D+01  0.381622D+00 -0.262918D+02
      4   0.106062D+01  0.691905D+00 -0.143397D+00 -0.129501D+01 -0.310751D+02
      5  -0.846818D+00  0.108529D+01 -0.706585D+00  0.590401D+00  0.315835D+01
      6   0.888427D+01 -0.137509D+01  0.916274D+01 -0.280260D+01 -0.681279D+00
               101           102           103           104           105 
      1  -0.103409D+02  0.526077D+01 -0.610449D+01  0.482858D+01 -0.797933D+00
      2   0.627733D+00 -0.209531D+01 -0.165393D+01  0.179975D+01 -0.103268D+01
      3   0.971316D+01 -0.316546D+01  0.775843D+01 -0.662834D+01  0.183061D+01
      4   0.173818D+02 -0.343361D+01  0.157221D+02 -0.994373D+01  0.211289D+01
      5  -0.458834D+00  0.707310D+01 -0.444372D+00  0.156234D+01 -0.227292D+01
      6  -0.240910D+00 -0.282303D+01  0.186714D+00 -0.841415D+00  0.337678D+01
               106           107           108           109           110 
      1   0.922380D+01 -0.255789D+01  0.312876D+01  0.149068D+01 -0.384609D+01
      2  -0.391692D+01 -0.126126D+01 -0.241919D+01 -0.134959D+01  0.238026D+01
      3  -0.530688D+01  0.381914D+01 -0.709567D+00 -0.141083D+00  0.146583D+01
      4  -0.847048D+01  0.470126D+01 -0.520915D+01 -0.312225D+01  0.273908D+01
      5   0.805433D+01 -0.365303D+01  0.316887D+01 -0.133722D+01  0.151964D+01
      6  -0.325946D+01  0.353168D+01 -0.496866D+00  0.244239D+01  0.721994D+00
               111           112           113           114           115 
      1  -0.233147D+01 -0.200226D+01 -0.705261D+01 -0.627614D+01 -0.163563D+01
      2   0.104276D+01  0.106882D+01  0.541975D+01  0.338044D+01  0.207767D+01
      3   0.128871D+01  0.933440D+00  0.163285D+01  0.289570D+01 -0.442039D+00
      4   0.198115D+01  0.452977D+01 -0.417237D+01 -0.559861D+01  0.420217D+01
      5   0.393663D+01  0.225842D+01 -0.449591D+01 -0.533254D+01  0.713580D+01
      6   0.227269D+01 -0.146800D+01  0.103681D+02  0.139420D+02 -0.331042D+01
               116           117           118           119           120 
      1  -0.799938D+01 -0.154154D+02 -0.226928D+02  0.826834D+01 -0.229140D+02
      2   0.237663D+01 -0.815807D+01  0.231472D+02 -0.439645D+01  0.666624D+01
      3   0.562275D+01  0.235735D+02 -0.454393D+00 -0.387189D+01  0.162478D+02
      4  -0.838795D+01 -0.101609D+02  0.119640D+01  0.553343D+01 -0.489419D+01
      5  -0.844544D+01 -0.196837D+02 -0.207941D+02  0.449778D+01 -0.346844D+01
      6   0.145825D+02  0.256401D+02 -0.256910D+01  0.192441D+00  0.565898D+01
               121           122           123           124           125 
      1   0.134939D+02  0.138629D+02  0.787688D+00 -0.203891D+02 -0.244540D+01
      2  -0.101914D+02 -0.327733D+02 -0.600260D+01  0.717335D+01 -0.100643D+01
      3  -0.330245D+01  0.189104D+02  0.521491D+01  0.132157D+02  0.345183D+01
      4   0.404583D+01 -0.219267D+02  0.170307D+01 -0.425590D+01  0.507240D+01
      5   0.739927D+01  0.143238D+01  0.736622D+01 -0.122837D+01  0.911533D+01
      6   0.313550D+00 -0.772905D+01  0.766391D+01  0.721243D+01  0.747436D+01
               126           127           128           129           130 
      1   0.313651D+01  0.201369D+02  0.568137D+01 -0.101863D+02  0.451873D+01
      2   0.411846D+01 -0.142594D+02 -0.335023D+01  0.952005D+01 -0.134341D+01
      3  -0.725498D+01 -0.587753D+01 -0.233113D+01  0.666254D+00 -0.317532D+01
      4   0.141570D+02  0.143444D+02  0.101662D+02 -0.763760D+01  0.112029D+02
      5   0.623886D+01 -0.212065D+02 -0.635873D+01  0.184493D+02 -0.621691D+01
      6   0.528523D+01 -0.753839D+01 -0.409479D+01  0.710275D+01 -0.513196D+01
               131           132           133           134           135 
      1   0.191854D+01 -0.943322D+00 -0.844383D+01 -0.115307D+01  0.409638D+01
      2   0.316490D+00  0.385697D+00  0.100646D+02  0.252070D+01 -0.118854D+02
      3  -0.223503D+01  0.557625D+00 -0.162080D+01 -0.136763D+01  0.778903D+01
      4   0.790503D+01 -0.658778D+01 -0.842661D+01 -0.606540D+01  0.930072D+01
      5  -0.728428D+01  0.731116D+01  0.195816D+02  0.821916D+01 -0.213749D+02
      6  -0.591768D+01  0.831174D+01  0.728060D+01  0.714438D+01 -0.100503D+02
               136           137           138           139           140 
      1  -0.149473D+00  0.180898D+01 -0.892723D+00  0.108796D+01 -0.256082D+02
      2   0.398311D+01 -0.397808D+01  0.387233D+00 -0.251415D+01  0.414442D+02
      3  -0.383364D+01  0.216910D+01  0.505490D+00  0.142619D+01 -0.158360D+02
      4  -0.222388D+01  0.948598D+01 -0.123260D+01  0.717143D+01 -0.717126D+01
      5   0.806935D+00 -0.311751D+01  0.212116D+01 -0.255108D+01  0.298236D+01
      6  -0.168790D+01  0.232779D+01 -0.117062D+01  0.257850D+01 -0.183763D+02
               141           142           143           144           145 
      1   0.536096D+01 -0.388266D+00  0.189275D+00 -0.466672D+01 -0.127213D+00
      2  -0.461066D+01 -0.450870D+00  0.206075D+01  0.187396D+01 -0.444664D+01
      3  -0.750295D+00  0.839135D+00 -0.225003D+01  0.279276D+01  0.457385D+01
      4   0.167827D+01  0.115685D+00 -0.106746D+01 -0.642567D+00  0.102075D+01
      5  -0.133613D+01  0.902671D+00 -0.396193D+00  0.675113D+00  0.279786D+01
      6   0.965699D+01 -0.782321D+00  0.656053D+01 -0.261895D+01 -0.284495D+00
               146           147           148           149           150 
      1   0.837451D+00 -0.187023D+01  0.136119D+01 -0.388667D+01 -0.452868D+01
      2  -0.334524D+00 -0.267659D+01 -0.780842D+00  0.138910D+00 -0.567306D+01
      3  -0.502927D+00  0.454682D+01 -0.580350D+00  0.374776D+01  0.102017D+02
      4   0.135075D+01 -0.166352D+01 -0.370019D+00  0.645047D-01  0.687931D+00
      5   0.513735D+00  0.860111D+01  0.162543D+01  0.926937D+00  0.195739D+01
      6   0.125793D+01 -0.186563D+01  0.714308D+00  0.253965D+00  0.353296D+01
               151           152           153           154           155 
      1   0.249608D+00  0.505647D+00 -0.264670D+02 -0.329699D+01 -0.360587D+00
      2  -0.248890D+01 -0.300422D+01 -0.212648D+02 -0.354188D+01 -0.147249D+01
      3   0.223929D+01  0.249858D+01  0.477318D+02  0.683888D+01  0.183307D+01
      4  -0.250095D+01  0.801515D+00 -0.141856D+01 -0.593812D+01 -0.228393D+01
      5   0.641165D+01  0.203472D+00  0.858568D+01 -0.223167D+01 -0.148073D+01
      6  -0.105975D+01  0.584058D+01 -0.118888D+02  0.163464D+01 -0.308527D+01
               156           157           158           159           160 
      1   0.108770D+02 -0.263929D+01 -0.393790D+01  0.104911D+01  0.987824D+01
      2   0.206602D+01  0.109425D+01  0.347081D+01  0.293693D+01  0.773040D+00
      3  -0.129430D+02  0.154504D+01  0.467096D+00 -0.398604D+01 -0.106513D+02
      4   0.336734D+01 -0.102884D+01  0.102609D+01  0.938569D+00  0.531342D+01
      5   0.301837D+00 -0.181223D+01 -0.258606D+00 -0.207256D+01  0.424155D+01
      6  -0.588079D+01 -0.123816D+01  0.909014D+00  0.102071D+01 -0.217028D+01
               161           162           163           164           165 
      1   0.520279D+00 -0.145676D+02  0.467057D+02 -0.411671D+01  0.134975D+02
      2   0.255694D+01 -0.863731D+01 -0.308671D+02  0.484291D+01 -0.125813D+02
      3  -0.307722D+01  0.232049D+02 -0.158386D+02 -0.726199D+00 -0.916251D+00
      4   0.251549D+01 -0.461433D+01  0.114784D+02  0.792395D+01  0.489490D+01
      5   0.131982D+00  0.369304D+01  0.282053D+02 -0.103018D+01  0.182033D+02
      6   0.369575D+01  0.772037D+01  0.285857D+01  0.408411D+01  0.314490D+01
               166           167           168           169           170 
      1  -0.105396D+02  0.346029D+01 -0.283486D+01  0.102976D+02 -0.167688D+00
      2   0.808087D+01 -0.728294D-01  0.395353D+01 -0.998509D+01  0.130220D+01
      3   0.245871D+01 -0.338746D+01 -0.111867D+01 -0.312506D+00 -0.113451D+01
      4   0.420352D+01 -0.226915D+00  0.138870D+01  0.376716D+01  0.146353D+01
      5  -0.638263D+01  0.296525D+01 -0.513909D+01  0.154158D+02 -0.163603D+01
      6   0.213458D+01 -0.446995D+00  0.597058D+00  0.191092D+01  0.177337D+01
               171           172           173           174           175 
      1   0.586179D+01  0.228281D+01  0.311959D+01  0.255374D+01  0.190485D+01
      2  -0.958697D+01  0.980474D+00 -0.111131D+01 -0.108054D+01  0.356289D+01
      3   0.372518D+01 -0.326328D+01 -0.200828D+01 -0.147320D+01 -0.546773D+01
      4   0.100001D+01  0.406589D+01  0.721428D+01  0.742465D+00  0.122926D+02
      5   0.112658D+02  0.255974D+01  0.760772D+00  0.166846D+01  0.312562D+01
      6   0.195805D+01  0.110636D+01  0.819379D-01 -0.459409D+00  0.262647D+01
               176           177           178           179           180 
      1  -0.225061D+02 -0.332350D+01  0.704104D+00 -0.504061D+00 -0.370316D+01
      2   0.487156D+02  0.247849D+01 -0.454293D+00 -0.255660D+01  0.342482D+01
      3  -0.262094D+02  0.845015D+00 -0.249811D+00  0.306066D+01  0.278349D+00
      4   0.330731D+02  0.372753D+01 -0.456569D+00 -0.148417D+01  0.172572D+01
      5   0.282999D+01  0.476078D+01  0.157958D+01  0.250775D+01 -0.491169D+00
      6   0.165944D+02  0.937603D+01  0.116745D+00  0.699897D+01  0.724125D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x         -0.102319D+01     -0.260068D+01     -0.867494D+01
   y          0.647983D+00      0.164701D+01      0.549383D+01
   z          0.483614D+00      0.122922D+01      0.410025D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.863494D+02      0.127957D+02      0.142371D+02
   yx        -0.104942D+01     -0.155509D+00     -0.173027D+00
   yy         0.845157D+02      0.125239D+02      0.139348D+02
   zx        -0.193893D+01     -0.287320D+00     -0.319687D+00
   zy         0.293359D+00      0.434713D-01      0.483684D-01
   zz         0.733527D+02      0.108698D+02      0.120942D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.858680D+02      0.127243D+02      0.141577D+02
   aniso      0.138261D+02      0.204882D+01      0.227962D+01
   xx         0.913229D+02      0.135327D+02      0.150571D+02
   yx        -0.151898D+01     -0.225090D+00     -0.250447D+00
   yy         0.889195D+02      0.131765D+02      0.146608D+02
   zx        -0.235359D+01     -0.348766D+00     -0.388055D+00
   zy         0.399556D+00      0.592081D-01      0.658779D-01
   zz         0.773615D+02      0.114638D+02      0.127552D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31995535          0.11008730         -2.11060588
     6          1.84263234          2.50472097         -0.63005441
     6         -0.04258463          2.84197498          1.55392716
     6         -0.21654866          0.46075033          3.18084895
     6         -0.88084855         -1.90126013          1.63091891
     6          1.05624842         -2.25554022         -0.51876698
     8          1.11292954          0.09261262         -4.38743087
     1          1.82350490          4.10364108         -1.92636991
     1          3.75399859          2.33996985          0.15341856
     1         -1.89984722          3.30447612          0.77908998
     1          0.52165459          4.45520983          2.70970982
     1         -1.61855586          0.72753580          4.67359822
     1          1.60017961          0.15352772          4.12344464
     6         -3.57737787         -1.82182635          0.59113052
     1         -0.73686767         -3.54289162          2.87853827
     1          0.55110110         -3.82818113         -1.74874708
     1          2.91210222         -2.65662609          0.30790623
     1         -3.83603400         -0.29675280         -0.77353237
     1         -4.94469776         -1.54936504          2.11201673
     1         -4.03883873         -3.58488625         -0.37401979

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130410D+01      0.331469D+01      0.110566D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.763263D+02      0.113104D+02      0.125845D+02
   yx         0.432569D+01      0.641001D+00      0.713210D+00
   yy         0.817275D+02      0.121108D+02      0.134750D+02
   zx        -0.315101D+01     -0.466932D+00     -0.519532D+00
   zy         0.123097D+01      0.182411D+00      0.202959D+00
   zz         0.861640D+02      0.127682D+02      0.142065D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.858680D+02      0.127243D+02      0.141577D+02
   aniso      0.138261D+02      0.204882D+01      0.227962D+01
   xx         0.802016D+02      0.118847D+02      0.132235D+02
   yx         0.439317D+01      0.651001D+00      0.724336D+00
   yy         0.858916D+02      0.127278D+02      0.141616D+02
   zx        -0.331285D+01     -0.490913D+00     -0.546215D+00
   zy         0.121303D+01      0.179753D+00      0.200002D+00
   zz         0.915107D+02      0.135605D+02      0.150881D+02

 ----------------------------------------------------------------------
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 THE LENGTH OF A MEETING IS PROPORTIONAL TO THE
 SQUARE OF THE PARTICIPANTS.
 Job cpu time:       0 days  4 hours 51 minutes 17.4 seconds.
 Elapsed time:       0 days  0 hours 18 minutes 14.5 seconds.
 File lengths (MBytes):  RWF=    250 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 22:23:50 2021.
